(4-히드록시메틸티아졸-2-일)카르밤산tert-부틸에스테르

(4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester

HCID 22280475CAS 494769-44-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)Nc1nc(CO)cs1
InChIKey: OWLBQQTUOQLZST-UHFFFAOYSA-N
분자식: C9H14N2O3S
평균 분자량: 230.29 g/mol
단동위원소 질량: 230.07251331

이름 및 식별자

우선 이름: (4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate
현지명: (4-히드록시메틸티아졸-2-일)카르밤산tert-부틸에스테르
영어명: (4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
분자식: C9H14N2O3S
분자량: 230.28

이름 및 동의어

(4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl esterRefChem:402876689-215-4494769-44-7tert-butyl (4-(hydroxymethyl)thiazol-2-yl)carbamatetert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamateMFCD08275703tert-butyl 4-(hydroxymethyl)thiazol-2-ylcarbamate2-(Boc-amino)-4-(hydroxymethyl)thiazole(2-N-BOC-AMINO-THIAZOL-4-YL)-METHANOL(2-N-Boc-Aminothiazol-4-yl)methanolN-Boc-2-Amino-(4-hydroxymethyl)thiazole

이름 더 보기

(4-히드록시메틸티아졸-2-일)카르밤산tert-부틸에스테르tert-butyl 4-(hydroxymethyl)-1,3-thiazol-2-ylcarbamate(4-HYDROXYMETHYLTHIAZOL-2-YL)CARBAMIC ACID TERT-BUTYL ESTER, 95+%Carbamic acid, N-[4-(hydroxymethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester

Carbamic acid, [4-(hydroxymethyl)-2-thiazolyl]-, 1,1-dimethylethyl esterSCHEMBL1030124tert-butyl N-[4-(hydroxymethyl)thiazol-2-yl]carbamateDTXSID10624276tert-butyl 4-(hydroxymethyl)thiaOWLBQQTUOQLZST-UHFFFAOYSA-NSBB097622AKOS015841474

데이터베이스 식별자

CAS: 494769-44-7
PubChem CID: 22280475
DTXSID: DTXSID10624276
EC Number: 689-215-4

물성

구조 계산 물성

XLogP: 1
극성 표면적: 99.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 230

물리화학적 성질

밀도: 1.316 · 1.316±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 5.09 · 5.09±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, P317, P321, P330, P337+P317, P362+P364, 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.