CAS 158690-56-3 tert-butyl N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}carbamate (HCID 10781634)

기본 정보

CAS: 158690-56-3
표준 SMILES: Cc1ccc(S(=O)(=O)OCCNC(=O)OC(C)(C)C)cc1
InChIKey: OWNIGLWHXOENAA-UHFFFAOYSA-N
분자식: C14H21NO5S
평균 분자량: 315.39 g/mol
단동위원소 질량: 315.11404377

이름 및 식별자

우선 이름: tert-butyl N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}carbamate
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-methylbenzenesulfonate
현지명: TERT-부틸N-[2-(토실록시)에틸]카바메이트
영어명: tert-Butyl N-[2-(tosyloxy)ethyl]carbamate
분자식: C14H21NO5S
분자량: 315.39

이름 및 동의어

tert-butyl N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}carbamatetert-butyl N-(2-((4-methylbenzenesulfonyl)oxy)ethyl)carbamateRefChem:895440815-937-8158690-56-32-((tert-Butoxycarbonyl)amino)ethyl 4-methylbenzenesulfonateTert-butyl n-[2-(tosyloxy)ethyl]carbamateMFCD077769652-(tert-butoxycarbonylamino)ethyl 4-methylbenzenesulfonate2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-methylbenzenesulfonateCarbamic acid, N-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-, 1,1-dimethylethyl estertert-butyl n-(2-(tosyloxy)ethyl)carbamate

이름 더 보기

TERT-부틸N-[2-(토실록시)에틸]카바메이트103009NHBoc-PEG1-TosBoc-NH-PEG1-Tos

2-[(tert-Butoxycarbonyl)amino]ethyl 4-methylbenzenesulfonate2-([[(1,1-Dimethylethyl)oxy]carbonyl]amino)ethyl 4-methylbenzenesulfonate2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)ethyl 4-methylbenzenesulfonateN-Boc-2-aminoethyl 4-MethylbenzenesulfonateTert-Butyl N-[2-(TosSCHEMBL791306orb3177069XR997T69PA

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 90.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 21
형식 전하: 0
복잡도: 427

물리화학적 성질

끓는 점: 461.9 · 461.9±28.0 °C(Predicted)
밀도: 1.189 · 1.189±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · 2-8°C(protect from light)
용해도: soluble in Dichloromethane; Ethyl Acetate
산도 계수 (pKa): 11.71 · 11.71±0.46(Predicted)

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.