Basic information
- CAS
85317-52-8- Standard SMILES
COC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1- InChIKey
FUFUQQWIXMPZFU-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
Overview
Methyl 4-nitrophenylalaninate is a phenylalanine derivative that is methyl phenylalaninate substituted by a nitro group at position 4 on the benzene ring. It is a phenylalanine derivative and an alpha-amino acid ester. It is functionally related to a 4-nitrophenylalanine.
Names & identifiers
- Preferred name
- Methyl 2-amino-3-(4-nitrophenyl)propanoate
- IUPAC
- methyl 2-amino-3-(4-nitrophenyl)propanoate
- English name
- 4-Nitro-phenylalanine methyl ester
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
Methyl 2-amino-3-(4-nitrophenyl)propanoate85317-52-8methyl 4-nitrophenylalaninate4-Nitro-phenylalanine methyl estermethyl 2-amino-3-(4-nitrophenyl)propionate4-Nitrophenylalanine, methyl esterD6YU2GT6H9SCHEMBL3317059CHEBI:484954-Nitrophenylalanine, methyl(ester)DL-4-Nitrophenylalanine methyl esterSBB096630
Show more names
Methyl (S)-2-amino-3-(4-nitrophenyl)propanoateNitro phenylalanine methyl ester4-NITRO-PHENYLALANINE METHYL ESTER USP/EP/BP
4-Nitro-DL-phenylalanine methyl esterAKOS009157584AB24951Phenylalanine, 4-nitro-, methyl esterAC-13533DA-41183Methyl 2-amino-3-(4-nitrophenyl)propanoate #EN300-6509770
Database identifiers
- CAS
85317-52-8- PubChem CID
- 560520
- ChEBI
CHEBI:48495- UNII
- D6YU2GT6H9
- Nikkaji
- J2.119.065I
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
Suppliers12 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
武汉翱飞科技有限公司15841022315 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
米诺化工有限公司0086-15313090952
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
23 records
Compound notes
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