CAS 25456-75-1 1-(1,1-Dimethylethyl) hydrogen L-glutamate (HCID 117505)

기본 정보

CAS: 25456-75-1
표준 SMILES: CC(C)(C)OC(=O)[C@@H](N)CCC(=O)O
InChIKey: QVAQMUAKTNUNLN-LURJTMIESA-N
분자식: C9H17NO4
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.11575802

이름 및 식별자

우선 이름: 1-(1,1-Dimethylethyl) hydrogen L-glutamate
IUPAC: (4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
현지명: 1-tert-부틸L-글루타메이트
영어명: 1-tert-butyl L-glutamate
분자식: C9H17NO4
분자량: 203.23558

이름 및 동의어

45120-30-71-(1,1-Dimethylethyl) hydrogen L-glutamate(4S)-4-AMINO-5-(TERT-BUTOXY)-5-OXOPENTANOIC ACIDDTXSID40963342RefChem:419241DTXCID001517161801-523-4h-glu-otbu(S)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid1-tert-Butyl L-glutamateL-Glutamic Acid tert-Butyl EsterMFCD00038562

이름 더 보기

1-tert-부틸L-글루타메이트

L-Glutamic acid alpha-tert-butyl esterL-Glutamic acid a-tert-butyl ester(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid25456-75-1L-Glutamic acid 1-tert-butyl esterL-Glutamic acid |A-tert inverted exclamation mark currencybutyl esterl-glutamic acid, 1-(1,1-dimethylethyl) ester(4S)-4-azaniumyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate

데이터베이스 식별자

CAS: 25456-75-1、45120-30-7
PubChem CID: 117505
DTXSID: DTXSID40963342
UNII: 2WC83X27NE
EC Number: 247-005-6、801-523-4
Nikkaji: J250.469C

물성

구조 계산 물성

XLogP: -2.2
극성 표면적: 89.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.