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
- Formal charge
- 0
- Complexity
- 121
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]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海博拓生物科技有限公司16621358918 · [email protected]
Related reactions
17 records
Compound notes
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