(S)-2-amino-1-(3-chlorophenyl)ethanol

HCID 9855591

Basic information

CAS
168112-89-8
Standard SMILES
NC[C@@H](O)c1cccc(Cl)c1
InChIKey
STJIXOUDTUPEEL-MRVPVSSYSA-N
Molecular formula
C8H10ClNO
Average molar mass
171.62 g/mol
Monoisotopic mass
171.0450916

Names & identifiers

Preferred name
(S)-2-amino-1-(3-chlorophenyl)ethanol
IUPAC
(1S)-2-amino-1-(3-chlorophenyl)ethanol
English name
(S)-2-Amino-1-(3-chloro-phenyl)-ethanol
Molecular formula
C8H10ClNO
Molecular weight
171.62

Names & synonyms

168112-89-8(S)-2-AMINO-1-(3-CHLORO-PHENYL)-ETHANOL(1S)-2-Amino-1-(3-chlorophenyl)ethanol(1S)-2-amino-1-(3-chlorophenyl)ethan-1-ol(S)-2-amino-1-(3-chlorophenyl)ethanol(S)-2-amino-1-[3-chlorophenyl]ethanolMFCD09260578SCHEMBL768007DTXSID60431816STJIXOUDTUPEEL-MRVPVSSYSA-NCS-B0672AKOS017515666
Show more names
a-(aMinoMethyl)-3-chloro-[(S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amine(S)-alpha-(Aminomethyl)-3-chlorobenzenemethanolBenzenemethanol, α-(aminomethyl)-3-chloro-, (αS)-
SY491643(S)-2-amino-1-(3-chlorophenyl)-ethanolEN300-202587(S)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamine

Database identifiers

CAS
168112-89-8
PubChem CID
9855591
DTXSID
DTXSID60431816
Nikkaji
J1.785.297C

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
319.8 · 319.8±27.0 °C(Predicted)
Density
1.26 · 1.260±0.06 g/cm3(Predicted)
pka
11.77 · 11.77±0.35(Predicted)

Chemistry & industry

Suppliers14 total

Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海迪外化工科技有限公司021-61551100
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
上海复青化学科技有限公司13816107857 · [email protected]

Related reactions

17 records

Compound notes

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