Basic information
- CAS
81677-60-3- Standard SMILES
COC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1- InChIKey
FUFUQQWIXMPZFU-VIFPVBQESA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
Names & identifiers
- Preferred name
- 4-Nitro-L-phenylalanine methyl ester
- IUPAC
- methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate
- English name
- (S)-4-Nitrophenylalaninemethylester
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
81677-60-34-nitro-L-phenylalanine methyl esterPE2RYU9W5YRefChem:1071284(S)-Methyl 2-amino-3-(4-nitrophenyl)propanoatemethyl (2S)-2-amino-3-(4-nitrophenyl)propanoate85317-52-84-Nitro-phenylalanine methyl esterMFCD06410829methyl (2S)-2-amino-3-(4-nitrophenyl)propionate(S)-4-NitrophenylalaninemethylesterH-L-Phe(4-NO2)-OMe
Show more names
METHYL (4-NITROPHENYL)-L-ALANINATE(S)-4-Nitrophenylalanin-methyl-esterL-Phenylalanine, 4-nitro-, Methyl ester4-(2-amino-2'-carbomethoxy)ethyl-nitrobenzene methyl ester4-(2-amino-2'-carbomethoxy)ethyl-nitrobenzene methyl ester
SCHEMBL240405p-Nitrophenylalanine methylesterp-nitrophenylalanine methyl esterMethyl 4-nitro-L-phenylalaninateFUFUQQWIXMPZFU-VIFPVBQESA-Np-nitro-phenylalanine methyl ester4-Nitrophenylalaninemethylester, (S)-BP-20664
Database identifiers
- CAS
81677-60-3- PubChem CID
- 7408281
- UNII
- PE2RYU9W5Y
- Nikkaji
- J694.102H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 360 · 360.0±27.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 6.45 · 6.45±0.33(Predicted)
Chemistry & industry
Suppliers6 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
8 records
Compound notes
Loading…