2-Amino-3-(3-cyano-phenyl)-propionic acid

HCID 10559569

기본 정보

CAS: 63999-80-4
표준 SMILES: N#Cc1cccc(CC(N)C(=O)O)c1
InChIKey: ZHUOMTMPTNZOJE-UHFFFAOYSA-N
분자식: C10H10N2O2
평균 분자량: 190.2 g/mol

개요

3-cyano-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a cyano group at position 3 of the phenyl ring. It is a nitrile and a L-phenylalanine derivative.

이름 및 식별자

우선 이름: 2-Amino-3-(3-cyano-phenyl)-propionic acid
IUPAC: 2-amino-3-(3-cyanophenyl)propanoic acid
영어명: 3-Cyanophenylalanine
분자식: C10H10N2O2
분자량: 190.2

이름 및 동의어

63999-80-42-amino-3-(3-cyano-phenyl)-propionic acidRefChem:463713676-170-02-amino-3-(3-cyanophenyl)propanoic Acid3-cyano-dl-phenylalanineDL-3-Cyanophenylalanineh-dl-phe(3-cn)-ohMFCD00190859D-3-Cyanophenylalanine2-Amino-3-(3-cyanophenyl)propanoicacidSCHEMBL43811

이름 더 보기

DL-3-CN-Phe-OHDL-Phe(3-CN)-OHH-M-CYANO-DL-PHE-OH3-CyanophenylalaninePhenylalanine, 3-cyano-m-Cyano-DL-phenylalanine

CHEBI:233130AKOS006275482LS-13755SY317162CS-0156960A50208EN300-1168236F040428

데이터베이스 식별자

CAS: 63999-80-4
PubChem CID: 10559569
ChEBI: CHEBI:233130
EC Number: 676-170-0

물성

구조 계산 물성

XLogP: -1.8
극성 표면적: 87.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 256

물리화학적 성질

끓는 점: 382.5 · 382.5±32.0 °C(Predicted)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 2.14 · 2.14±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색

화학적 성질

White to off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호: 2926907090
risk_code: 25
hazard_code: T
safety_code: 45

화학 및 산업

공급사59 곳

北京华美互利生物化工010-56205725 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

화합물 노트

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