4-Nitro-3-phenyl-L-alanine

HCID 13706

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기본 정보

CAS: 949-99-5
표준 SMILES: N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey: GTVVZTAFGPQSPC-QMMMGPOBSA-N
분자식: C9H10N2O4
평균 분자량: 210.19 g/mol
단동위원소 질량: 210.0640568

개요

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.

이름 및 식별자

우선 이름: 4-Nitro-3-phenyl-L-alanine
IUPAC: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid

이름 및 동의어

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-

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP: -1.2
극성 표면적: 109 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 243

안전 및 규제

GHS 분류

GHS Classification · 4건

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.