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Screening compounds

Lilly 79771

Also known as LY 79771, LY 79730, Benzenemethanol, alpha-(((3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)-, hydrochloride, (R-(R*,S*))-

CAS 74248-92-3Formula C18H24ClNO2Molar mass 321.85 g/mol
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Lilly 79771 chemical structure, C18H24ClNO2, CAS 74248-92-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
74248-92-3
Formula
C18H24ClNO2
Molar mass
321.85 g/mol
HS code
292250
Category
Screening compounds

What is Lilly 79771?

Plain description, key identifiers and synonyms

Lilly 79771 is a chemical substance with the molecular formula C18H24ClNO2 and a molar mass of 321.85 g/mol. Its CAS registry number is 74248-92-3. The IUPAC name is 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenol, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenol, hydrochloride
CAS number
74248-92-3 CAS number cross-checked
Molecular formula
C18H24ClNO2
UNII
GW48V1582Z
InChIKey
SBGSKJIIRMOMTL-DJKAKHFESA-N
InChI
InChI=1S/C18H23NO2.ClH/c1-14(7-8-15-9-11-17(20)12-10-15)19-13-18(21)16-5-3-2-4-6-16;/h2-6,9-12,14,18-21H,7-8,13H2,1H3;1H/t14-,18-;/m0./s1
Canonical SMILES
CC(CCc1ccc(O)cc1)NCC(O)c1ccccc1.Cl
Isomeric SMILES
C[C@@H](CCC1=CC=C(C=C1)O)NC[C@@H](C2=CC=CC=C2)O.Cl

Synonyms

  • LY 79771
  • LY 79730
  • Benzenemethanol, alpha-(((3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)-, hydrochloride, (R-(R*,S*))-
  • 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenol, hydrochloride
  • (R-(R*,S*))-alpha-(((3-(4-Hydroxyphenyl)-1-methylpropyl)amino)methyl)benzenemethanol
  • Benzenemethanol, alpha-[[[(1S)-3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]-, hydrochloride (1:1), (alphaR)-
  • LY-79771 (hydrochloride)
  • (R-(R*,S*)) alpha-(((3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)benzenemethanol
  • 4-[(3S)-3-{[(2R)-2-Hydroxy-2-phenylethyl]amino}butyl]phenol--hydrogen chloride (1/1)
  • 4-{3-[(2-Hydroxy-2-phenylethyl)amino]butyl}phenol--hydrogen chloride (1/1)
  • Benzenemethanol, alpha-((((1S)-3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)-, hydrochloride (1:1), (.alpha.r)-

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
321.85 g/molcalc.
Exact mass
321.1496 Dacalc.
LogP (octanol/water)
3.46calc.
Topological polar surface area
52.49 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
2calc.
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(CCCNCCc2ccccc2)cc1

c1ccc(CCCNCCc2ccccc2)cc1

2 rings, 18 atoms.

117 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.

Lilly 79771 suppliers

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

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Lilly 79771 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 Lilly 79771 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 Lilly 79771 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lilly 79771, based on the data on this page

What is Lilly 79771?

Lilly 79771 is a chemical substance with the molecular formula C18H24ClNO2 and a molar mass of 321.85 g/mol. Its CAS registry number is 74248-92-3. The IUPAC name is 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenol, hydrochloride.

What is the CAS number of Lilly 79771?

The CAS registry number of Lilly 79771 is 74248-92-3.

What is the molecular formula and weight of Lilly 79771?

The molecular formula of Lilly 79771 is C18H24ClNO2 and its molar mass is 321.85 g/mol.

What is Lilly 79771 used for?

Known uses and roles of Lilly 79771 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Lilly 79771 hazardous?

No GHS hazard classification for Lilly 79771 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 Lilly 79771?

Lilly 79771 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 Lilly 79771?

Post a free request on CompoundList and suppliers of Lilly 79771 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Lilly 79771?

Suppliers quote Lilly 79771 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 Lilly 79771

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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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