(3S)-3-Amino-3-(4-chlorophenyl)propanoic acid

HCID 684223

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Basic information

CAS: 131690-60-3
Standard SMILES: N[C@@H](CC(=O)O)c1ccc(Cl)cc1
InChIKey: BXGDBHAMTMMNTO-QMMMGPOBSA-N
Molecular formula: C9H10ClNO2
Average molar mass: 199.637 g/mol
Monoisotopic mass: 199.04000624

Names & identifiers

Preferred name: (3S)-3-Amino-3-(4-chlorophenyl)propanoic acid
IUPAC: (3S)-3-Amino-3-(4-chlorophenyl)propanoic acid
English name: (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid
Molecular formula: C9H10ClNO2
Molecular weight: 199.63

Names & synonyms

(S)-3-amino-3-(4-chlorophenyl)propanoic acidH-b-Phe(4-Cl)-OHS-4-Br-PHA(S)-ßS-4-Chloro-PHAH-β-Phe(4-Cl)-OH(S)-β-Phe(4-Cl)-OHRARECHEM LK HC T318H-BETA-PHE(4-CL)-OHH-D-PHG(4-CL)-(C*CH2)OH

Database identifiers

CAS: 131690-60-3
PubChem CID: 684223
DTXSID: DTXSID70350620
Nikkaji: J353.129E

Properties

Physicochemical properties

Boiling point: 345.8 · 345.8±32.0 °C(Predicted)
Density: 1.333 · 1.333
storage temp.: Sealed in dry,Room Temperature
pka: 3.62 · 3.62±0.10(Predicted)
Appearance: Off-white to gray Solid
optical activity: 6.4 ° · 6.4°(C=1.00g/100ml H2O)
InChI: InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/s3
InChIKey: BXGDBHAMTMMNTO-SBYBRXNCNA-N
SMILES: [C@H](C1C=CC(Cl)=CC=1)(N)CC(=O)O |&1:0,r|
CAS DataBase Reference: 131690 · 131690-60-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses(S)-3-Amino-3-(4-chlorophenyl)-propionic acid is an important chiral amino acid derivative, widely used in drug development and synthesis of bioactive compounds.

Suppliers100 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

成都科瑞嘉医药科技有限公司18290480864 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

济南启源生物科技有限公司18766124282; 18766124282 · [email protected]

Related reactions

1 records

New reaction record

HRID 423066As reactantuspto-grants-2012_01

Compound notes

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