Basic information
- CAS
17831-01-5- Standard SMILES
C[C@H](N)C(=O)OCc1ccccc1- InChIKey
YGYLYUIRSJSFJS-QMMMGPOBSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- benzyl (2S)-2-aminopropanoate
- IUPAC
- benzyl (2S)-2-aminopropanoate
- English name
- L-Alanine benzyl ester
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
benzyl (2S)-2-aminopropanoatebenzyl l-alaninate17831-01-5L-alanine benzyl esterH-ALA-OBZL HCLAlanine, phenylmethyl esterAla-OBnH-Ala-OBzlAlanine benzyl esterH-Ala-OBnl-alanine benzylesterphenylmethyl alaninate
Show more names
(S)-2-Aminopropionic acid benzyl esterbenzyl(s)-2-aminopropionate(S)-benzyl 2-aminopropanoatebenzyl (S)-2-aminopropionateSCHEMBL313062CHEMBL5583607YGYLYUIRSJSFJS-QMMMGPOBSA-NDTXSID601371252
Database identifiers
- CAS
17831-01-5- PubChem CID
- 726858
- DTXSID
DTXSID601371252- ChEMBL
CHEMBL5583607- Nikkaji
- J260.471J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 210 · 210-212 °C
- Boiling point
- 256.5 · 256.5±15.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 7.77 · 7.77±0.29(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
山东滨晨化工有限公司15866994906 13837799094 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
60 records
Compound notes
Loading…