4-Nitro-3-phenyl-L-alanine

HCID 13706CAS 949-99-5

基本情報

標準SMILES: N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey: GTVVZTAFGPQSPC-QMMMGPOBSA-N
分子式: C9H10N2O4
平均分子量: 210.19 g/mol
単同位体質量: 210.0640568

概要

4-nitro-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a nitro group at position 4 of the phenyl ring. It is a C-nitro compound and a L-phenylalanine derivative.

名称と識別子

優先名称: 4-Nitro-3-phenyl-L-alanine
IUPAC: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid

名称と別名

p-Nitrophenylalanine4-Nitro-3-phenyl-L-alanineRefChem:5258684-Nitro-L-phenylalanine949-99-5h-phe(4-no2)-oh(s)-2-amino-3-(4-nitrophenyl)propanoic acid(2S)-2-amino-3-(4-nitrophenyl)propanoic acidp-nitro-l-phenylalanineL-p-NitrophenylalanineL-4-NitrophenylalaninePhenylalanine, 4-nitro-

名称をさらに表示

L-Phenylalanine, 4-nitro-4-Nitro-L-Phenylalanine HydrateMFCD00051221(s)-4-nitrophenylalaninePhenylalanine, 4-nitro-, L-para-nitrophenylalanineALANINE, 3-(p-NITROPHENYL)-, L-45BD1566VA

データベース識別子

CAS: 949-99-5
PubChem CID: 13706
DTXSID: DTXSID401020875
ChEBI: CHEBI:45229
UNII: 45BD1566VA
EC Number: 213-446-8
Nikkaji: J55.192I

物性

構造計算による物性

XLogP: -1.2
極性表面積: 109 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 243

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (84.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.