Basic information
- CAS
141109-14-0- Standard SMILES
COC(=O)[C@@H](N)c1ccccc1Cl- InChIKey
UTWOZNRDJNWTPS-QMMMGPOBSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.04000624
Names & identifiers
- Preferred name
- Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate
- IUPAC
- methyl (2S)-2-amino-2-(2-chlorophenyl)acetate
- English name
- (S)-(+)-2-Chlorophenylglycine methyl ester
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
141109-14-0Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetateRefChem:1089222(S)-(+)-2-Chlorophenylglycine methyl ester(S)-Methyl 2-amino-2-(2-chlorophenyl)acetateMETHYL (2S)-2-AMINO-2-(2-CHLOROPHENYL)ACETATEMethyl (S)-2-amino-2-(2-chlorophenyl)acetateMFCD02258899(S)-2-chlorophenylglycine methyl esterBenzeneacetic acid, alpha-amino-2-chloro-, methyl ester, (alphaS)-S(+)-2-Chlorophenylglycine methyl ester tartrateMethyl (2S)-amino(2-chlorophenyl)acetate
Show more names
methyl (2-chlorophenyl)glycinateof Methyl (+)-Tartrate 68) BioAssay™CD68 (Cluster Differentiation C-aMino(2-chlorophenyl)
SCHEMBL5101666SCHEMBL29557046DTXSID10471702UTWOZNRDJNWTPS-QMMMGPOBSA-NAKOS016842506644E43P42UFC33771CS-0107172
Database identifiers
- CAS
141109-14-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 155 · 155-158oC
- Boiling point
- 270.1 · 270.1±25.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 6.15 · 6.15±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1/C9H10ClNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3/t8-/s3
- InChIKey
- UTWOZNRDJNWTPS-SBYBRXNCNA-N
- SMILES
- C1(C=CC=CC=1Cl)[C@H](N)C(=O)OC |&1:7,r|
- CAS DataBase Reference
- 141109 · 141109-14-0(CAS DataBase Reference)
- FDA UNII
- 644 E43P42U · 644E43P42U
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-(+)-2-Chlorophenylglycine methyl ester tartrate
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Related reactions
1 records
Compound notes
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