CAS 2311-21-9 N-formylphenylalanine methyl ester (HCID 7016392)

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Basic information

CAS: 2311-21-9
Standard SMILES: COC(=O)[C@H](Cc1ccccc1)NC=O
InChIKey: OPHMCBWUQRAKEO-JTQLQIEISA-N
Molecular formula: C11H13NO3
Average molar mass: 207.23 g/mol
Monoisotopic mass: 207.08954328

Names & identifiers

Preferred name: N-formylphenylalanine methyl ester
IUPAC: methyl (2S)-2-formamido-3-phenylpropanoate
English name: For-Phe-OMe
Molecular formula: C11H13NO3
Molecular weight: 207.23

Names & synonyms

2311-21-9N-formylphenylalanine methyl esterDTXSID90426831RefChem:364082DTXCID20377665For-Phe-OMeFormyl-L-phenylalanine methyl esterMETHYL (2S)-2-FORMAMIDO-3-PHENYLPROPANOATE(S)-Methyl 2-formamido-3-phenylpropanoateN-Formyl-L-phenylalanine methyl esterSCHEMBL1274700Methyl N-formyl-L-phenylalaninate

Show more names

FOR-PHENYLALANINE-OMEMethyl formyl-l-phenylalaninateN-α-Formyl-L-phenylalanine methyl esterL-Phenylalanine, N-formyl-, methyl esterMethyl N-formylbenzoyl-phenylalanine ester(S)-(+)-methyl-2-formamido-3-phenylpropanoate,N- formyl-L-phenylalanine methylester

OPHMCBWUQRAKEO-JTQLQIEISA-N(S)-Methyl2-formamido-3-phenylpropanoateAS-86384FF107840

Database identifiers

CAS: 2311-21-9
PubChem CID: 7016392
DTXSID: DTXSID90426831

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 212

Physicochemical properties

Melting point: 160 · 160-162 °C
Boiling point: 402.6 · 402.6±38.0 °C(Predicted)
Density: 1.14 · 1.140±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.62 · 14.62±0.23(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

methyl 3-phenyl-L-alaninate

Suppliers24 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

常州卡伏勒环保材料有限公司13839301681 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

Related reactions

2 records

New reaction record

HRID 2968As productuspto-grants-1998_03

HRID 1974013As reactantuspto-grants-1976_12

Compound notes

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