CAS 1235406-42-4 tert-butyl N-(1,3-thiazol-4-yl)carbamate (HCID 53241636)

기본 정보

CAS: 1235406-42-4
표준 SMILES: CC(C)(C)OC(=O)Nc1cscn1
InChIKey: NNPOFSOQPYVUDW-UHFFFAOYSA-N
분자식: C8H12N2O2S
평균 분자량: 200.26 g/mol
단동위원소 질량: 200.06194862

이름 및 식별자

우선 이름: tert-butyl N-(1,3-thiazol-4-yl)carbamate
IUPAC: tert-butyl N-(1,3-thiazol-4-yl)carbamate
현지명: tert-부틸티아졸-4-일카르바메이트
영어명: tert-butyl thiazol-4-ylcarbamate
분자식: C8H12N2O2S
분자량: 200.26

이름 및 동의어

tert-butyl N-(1,3-thiazol-4-yl)carbamateRefChem:895210862-884-1tert-Butyl thiazol-4-ylcarbamate1235406-42-44-(Boc-amino)thiazoletert-Butyl thiazol-4-yl-carbamateMFCD18800853Carbamic acid, N-4-thiazolyl-, 1,1-dimethylethyl ester4-(BOC-AMINO)-THIAZOLEtert-butyl 1,3-thiazol-4-ylcarbamateThiazol-4-ylcarbamic acid tert-butyl ester

이름 더 보기

tert-부틸티아졸-4-일카르바메이트100682TERT-BUTYL(1,3-THIAZOL-4-YL)tert-butyl (1,3-thiazol-4-yl)carbamate(1,3-Thiazol-4-yl)carbamic acid tert-butyl ester

tert-Butylthiazol-4-ylcarbamateSCHEMBL165039SCHEMBL9481466DTXSID70692875NNPOFSOQPYVUDW-UHFFFAOYSA-Ntert-butyl N-thiazol-4-ylcarbamateCS-B0999AKOS008154414

데이터베이스 식별자

CAS: 1235406-42-4
PubChem CID: 53241636
DTXSID: DTXSID70692875
EC Number: 862-884-1

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 79.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 153 · 153-155 °C
끓는 점: 254.9 · 254.9±13.0 °C(Predicted)
밀도: 1.242 · 1.242±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.39 · 12.39±0.70(Predicted)

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)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.