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Screening compounds

Agn-PC-0nihff

Also known as 3-(Dimethylamino)-1-phenylpropyl 4-methylbenzoate--hydrogen chloride (1/1)

CAS 58557-03-2Formula C19H24ClNO2Molar mass 333.86 g/mol
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Agn-PC-0nihff chemical structure, C19H24ClNO2, CAS 58557-03-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58557-03-2
Formula
C19H24ClNO2
Molar mass
333.86 g/mol
HS code
292219
Category
Screening compounds

What is Agn-PC-0nihff?

Plain description, key identifiers and synonyms

Agn-PC-0nihff is a chemical substance with the molecular formula C19H24ClNO2 and a molar mass of 333.86 g/mol. Its CAS registry number is 58557-03-2. The IUPAC name is [3-(dimethylamino)-1-phenylpropyl] 4-methylbenzoate, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[3-(dimethylamino)-1-phenylpropyl] 4-methylbenzoate, hydrochloride
CAS number
58557-03-2 CAS number cross-checked
Molecular formula
C19H24ClNO2
InChIKey
ZMQHSZKYNDCUJO-UHFFFAOYSA-N
InChI
InChI=1S/C19H23NO2.ClH/c1-15-9-11-17(12-10-15)19(21)22-18(13-14-20(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)C(=O)OC(CCN(C)C)C2=CC=CC=C2.Cl

Synonyms

  • 3-(Dimethylamino)-1-phenylpropyl 4-methylbenzoate--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
333.86 g/molcalc.
Exact mass
333.1496 Dacalc.
LogP (octanol/water)
4.27calc.
Topological polar surface area
29.54 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C(OCc1ccccc1)c1ccccc1

O=C(OCc1ccccc1)c1ccccc1

2 rings, 16 atoms, the Benzyl benzoate ring system.

742 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Agn-PC-0nihff suppliers

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Agn-PC-0nihff price

Indicative price range per kg from live supplier offers

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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 Agn-PC-0nihff is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

The HS code shown for Agn-PC-0nihff is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Agn-PC-0nihff, based on the data on this page

What is Agn-PC-0nihff?

Agn-PC-0nihff is a chemical substance with the molecular formula C19H24ClNO2 and a molar mass of 333.86 g/mol. Its CAS registry number is 58557-03-2. The IUPAC name is [3-(dimethylamino)-1-phenylpropyl] 4-methylbenzoate, hydrochloride.

What is the CAS number of Agn-PC-0nihff?

The CAS registry number of Agn-PC-0nihff is 58557-03-2.

What is the molecular formula and weight of Agn-PC-0nihff?

The molecular formula of Agn-PC-0nihff is C19H24ClNO2 and its molar mass is 333.86 g/mol.

What is Agn-PC-0nihff used for?

Known uses and roles of Agn-PC-0nihff include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Agn-PC-0nihff hazardous?

No GHS hazard classification for Agn-PC-0nihff is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Agn-PC-0nihff?

Agn-PC-0nihff is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Agn-PC-0nihff?

Post a free request on CompoundList and suppliers of Agn-PC-0nihff will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Agn-PC-0nihff?

Suppliers quote Agn-PC-0nihff 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 Agn-PC-0nihff

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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