CAS 91254-81-8 tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate (HCID 546109)

기본 정보

CAS: 91254-81-8
표준 SMILES: CC(C)CC(C=O)NC(=O)OC(C)(C)C
InChIKey: RQSBRFZHUKLKNO-UHFFFAOYSA-N
분자식: C11H21NO3
평균 분자량: 215.29 g/mol

이름 및 식별자

우선 이름: tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate
IUPAC: tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate

이름 및 동의어

tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate91254-81-8RefChem:896159823-937-4(S)-tert-butyl (4-methyl-1-oxopentan-2-yl)carbamatetert-butyl 4-methyl-1-oxopentan-2-ylcarbamateSCHEMBL1781832SCHEMBL2401238RDA25481AKOS022690209AB03879Boc-Leu-PAM resin (200-400 mesh)

이름 더 보기

N-Boc-2(R)-2-amino-4-methyl-pentanalDA-01118FB111615PD178460t-butyl 4-methyl-1-oxopentan-2-ylcarbamate2-t-butoxycarbonylamino-4-methyl-valeraldehydetert-Butyl 1-formyl-3-methylbutylcarbamate #EN300-113208

데이터베이스 식별자

CAS: 91254-81-8
PubChem CID: 546109
EC Number: 823-937-4
Nikkaji: J858.296C

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 15
형식 전하: 0
복잡도: 218

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.