CAS 848472-44-6 tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate (HCID 45117839)

기본 정보

CAS: 848472-44-6
표준 SMILES: Cc1csc(NC(=O)OC(C)(C)C)n1
InChIKey: JGBZPLSFZVKDDV-UHFFFAOYSA-N
분자식: C9H14N2O2S
평균 분자량: 214.29 g/mol
단동위원소 질량: 214.07759887

이름 및 식별자

우선 이름: tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
IUPAC: tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
현지명: 카르밤산,N-(4-메틸-2-티아졸릴)-,1,1-디메틸에틸에스테르
영어명: Carbamic acid, N-(4-methyl-2-thiazolyl)-, 1,1-dimethylethyl ester
분자식: C9H14N2O2S
분자량: 214.28

이름 및 동의어

tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamateRefChem:896157968-722-7848472-44-6tert-Butyl (4-methylthiazol-2-yl)carbamatetert-butyl 4-methylthiazol-2-ylcarbamateMFCD115019112-(Boc-amino)-4-methylthiazoleCarbamic acid, N-(4-methyl-2-thiazolyl)-, 1,1-dimethylethyl esterSCHEMBL1691027(4-methyl-thiazol-2-yl)-carbamic acid tert-butyl esterSCHEMBL28226290

이름 더 보기

카르밤산,N-(4-메틸-2-티아졸릴)-,1,1-디메틸에틸에스테르1004201,1-Dimethylethyl N-(4-methyl-2-thiazolyl)carbamateCarbamic acid, N-(4-methyl-2-thiazolyl)-, 1,1-dimethylethyl ester

DTXSID10668690JGBZPLSFZVKDDV-UHFFFAOYSA-N2-Methyl-2-propanyl (4-methyl-1,3-thiazol-2-yl)carbamateYIB47244AR2552AKOS014476256AS-45384SY020953

데이터베이스 식별자

CAS: 848472-44-6
PubChem CID: 45117839
DTXSID: DTXSID10668690
EC Number: 968-722-7

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 79.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 215

물리화학적 성질

밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 5.25 · 5.25±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.