카르밤산,2-티아졸릴-,1,1-디메틸에틸에스테르(9CI)

tert-butyl N-(1,3-thiazol-2-yl)carbamate

HCID 11858898

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 170961-15-6
표준 SMILES: CC(C)(C)OC(=O)Nc1nccs1
InChIKey: NCJXQSNROJRSSL-UHFFFAOYSA-N
분자식: C8H12N2O2S
평균 분자량: 200.26 g/mol
단동위원소 질량: 200.0619488

이름 및 식별자

우선 이름: tert-butyl N-(1,3-thiazol-2-yl)carbamate
IUPAC: tert-butyl N-(1,3-thiazol-2-yl)carbamate
현지명: 카르밤산,2-티아졸릴-,1,1-디메틸에틸에스테르(9CI)
영어명: Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)
분자식: C8H12N2O2S
분자량: 200.26

이름 및 동의어

Tert-butyl N-(1,3-thiazol-2-yl)carbamateRefChem:895209693-836-6tert-Butyl Thiazol-2-ylcarbamate170961-15-6N-Boc-2-AminothiazoleN-Boc-2-thiazolamineMFCD090383272-(BOC-AMINO)THIAZOLECarbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)SCHEMBL14720N-Boc-2-aminothiazole, 95%

이름 더 보기

카르밤산,2-티아졸릴-,1,1-디메틸에틸에스테르(9CI)2-(Boc-amino)thiazole,97%2-(Boc-aMino)thiazole, 97%1-(Boc-aMino)thiazole, 97%CarbaMic acid, 2-thiazolyl-2-t-butoxycarbonylamino-1,3-thiazole2-(N-tert-butyl formate)amino thiazole2 - (tert butyl n-formate) aminothiazole

2-(TERT-BUTOXYCARBONYLAMINO)THIAZOLEVGA96115AR2546AKOS000279453CS-W015607Tert-butyl 1,3-thiazol-2-ylcarbamateSY110260FT-0697815

데이터베이스 식별자

CAS: 170961-15-6
PubChem CID: 11858898
DTXSID: DTXSID70474491
EC Number: 693-836-6

물성

구조 계산 물성

XLogP: 2.1
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: 180 · 180-185℃
밀도: 1.242 · 1.242±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 5.25 · 5.25±0.70(Predicted)
InChI: InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)
InChIKey: NCJXQSNROJRSSL-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=NC=CS1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.