CompoundList
Sign in
Screening compounds

SC 57461

Also known as SC 57461A, 3-(methyl(3-(4-(phenylmethyl)phenoxy)propyl)amino)propanoic acid, 3-((3-(4-benzylphenoxy)propyl)(methyl)amino)propanoic acid hydrochloride

CAS 423169-68-0Formula C20H26ClNO3Molar mass 363.89 g/molEC 663-284-0
GHS signal word: Warning. Pictograms: Harmful or irritant
Get quotes Safety data
SC 57461 chemical structure, C20H26ClNO3, CAS 423169-68-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
423169-68-0
Formula
C20H26ClNO3
Molar mass
363.89 g/mol
EC number
663-284-0
HS code
292250
Category
Screening compounds

What is SC 57461?

Plain description, key identifiers and synonyms

SC 57461 is a chemical substance with the molecular formula C20H26ClNO3 and a molar mass of 363.89 g/mol. Its CAS registry number is 423169-68-0. The IUPAC name is 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoic acid, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[3-(4-benzylphenoxy)propyl-methylamino]propanoic acid, hydrochloride
CAS number
423169-68-0 CAS number cross-checked
EC number
663-284-0
Molecular formula
C20H26ClNO3
MDL number
MFCD00951253
InChIKey
SBBJJLDNKNNWFJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H25NO3.ClH/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17;/h2-4,6-11H,5,12-16H2,1H3,(H,22,23);1H
SMILES (canonical and isomeric)
CN(CCCOC1=CC=C(C=C1)CC2=CC=CC=C2)CCC(=O)O.Cl

Synonyms

  • SC 57461A
  • 3-(methyl(3-(4-(phenylmethyl)phenoxy)propyl)amino)propanoic acid
  • 3-((3-(4-benzylphenoxy)propyl)(methyl)amino)propanoic acid hydrochloride
  • 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoic acid, hydrochloride
  • 3-{[3-(4-Benzylphenoxy)propyl](methyl)amino}propanoic acid hydrochloride
  • N-Methyl-N-[3-[4-(phenylmethyl)phenoxy]propyl]-ss-alanine Hydrochloride, SC-57461 Hydrochloride
  • N-methyl-N-(3-(4-(phenylmethyl)phenoxy)propyl)-beta-alanine
  • SC 57461?
  • 3-[3-(4-benzylphenoxy)propyl-methyl-amino]propanoic acid, hydrochloride
  • 3-[methyl-[3-[4-(phenylmethyl)phenoxy]propyl]amino]propionic acid hydrochloride
  • 3-[Methyl[3-[4-(phenylmethyl)phenoxy]propyl]-amino]propanoic Acid Hydrochloride
  • N-[3-(4-Benzylphenoxy)propyl]-N-methyl-beta-alanine--hydrogen chloride (1/1)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
363.89 g/molcalc.
Exact mass
363.1601 Dacalc.
LogP (octanol/water)
3.87calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
10calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(Cc2ccccc2)cc1

c1ccc(Cc2ccccc2)cc1

2 rings, 13 atoms, the Diphenylmethane ring system.

8,982 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (13)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

SC 57461 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade SC 57461 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

SC 57461 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code SC 57461 is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for SC 57461 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SC 57461, based on the data on this page

What is SC 57461?

SC 57461 is a chemical substance with the molecular formula C20H26ClNO3 and a molar mass of 363.89 g/mol. Its CAS registry number is 423169-68-0. The IUPAC name is 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoic acid, hydrochloride.

What is the CAS number of SC 57461?

The CAS registry number of SC 57461 is 423169-68-0.

What is the molecular formula and weight of SC 57461?

The molecular formula of SC 57461 is C20H26ClNO3 and its molar mass is 363.89 g/mol.

What is SC 57461 used for?

Known uses and roles of SC 57461 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is SC 57461 hazardous?

SC 57461 carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of SC 57461?

SC 57461 is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy SC 57461?

Post a free request on CompoundList and suppliers of SC 57461 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of SC 57461?

Suppliers quote SC 57461 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle SC 57461

Get quotes for SC 57461

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell SC 57461
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of SC 57461 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/sc-57461-423169-68-0" title="SC 57461 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 292250

Price on request
Free quotes, contact stays private
Get quotes