5-아미노-2-메틸-티아졸-4-카르복실산에틸에스테르

Ethyl 5-amino-2-methylthiazole-4-carboxylate

HCID 13329095

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 31785-05-4
표준 SMILES: CCOC(=O)c1nc(C)sc1N
InChIKey: HNDBOQZBZYRXMF-UHFFFAOYSA-N
분자식: C7H10N2O2S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.04629856

이름 및 식별자

우선 이름: Ethyl 5-amino-2-methylthiazole-4-carboxylate
IUPAC: ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate
현지명: 5-아미노-2-메틸-티아졸-4-카르복실산에틸에스테르
영어명: 5-Amino-2-methyl-thiazole-4-carboxylic acid ethyl ester
분자식: C7H10N2O2S
분자량: 186.23

이름 및 동의어

ETHYL 5-AMINO-2-METHYLTHIAZOLE-4-CARBOXYLATERefChem:595660801-994-631785-05-4ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTERMFCD073574185-Amino-2-methylthiazole-4-carboxylic acid ethyl esterethyl 5-amino-2-methyl-thiazole-4-carboxylateHNDBOQZBZYRXMF-UHFFFAOYSA-DTXSID20536992AKOS006284799

이름 더 보기

5-아미노-2-메틸-티아졸-4-카르복실산에틸에스테르acid ethyl ester5-Amino-2-methyl-thiazole-4-carboxylic5-Amino-4-(ethoxycarbonyl)-2-methyl-1,3-thiazole5-Amino-2-methyl-thiazole-4-carboxylic Ethyl ester5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester AldrichCPR(1R,3R,4R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxycyclohexanecarboxylic

DS-17644SY065513EN300-998734-Thiazolecarboxylic acid, 5-amino-2-methyl-, ethyl esterAMY11593SCHEMBL1194383HNDBOQZBZYRXMF-UHFFFAOYSA-NGBA78505

데이터베이스 식별자

CAS: 31785-05-4
PubChem CID: 13329095
DTXSID: DTXSID20536992
EC Number: 801-994-6
Nikkaji: J344.470H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 93.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 158 · 158-159 °C
끓는 점: 301.9 · 301.9±22.0 °C(Predicted)
밀도: 1.283 · 1.283±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 고체
산도 계수 (pKa): 2.38 · 2.38±0.10(Predicted)
색상: 갈색
InChI: 1S/C7H10N2O2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3
InChIKey: HNDBOQZBZYRXMF-UHFFFAOYSA-N
SMILES: CCOC(=O)c1nc(C)sc1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.