에틸2-아미노-4-메틸티아졸-5-카르복실레이트

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

HCID 343747

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7210-76-6
표준 SMILES: CCOC(=O)c1sc(N)nc1C
InChIKey: WZHUPCREDVWLKC-UHFFFAOYSA-N
분자식: C7H10N2O2S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.04629856

이름 및 식별자

우선 이름: Ethyl 2-amino-4-methylthiazole-5-carboxylate
IUPAC: ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
현지명: 에틸2-아미노-4-메틸티아졸-5-카르복실레이트
영어명: Ethyl 2-amino-4-methylthiazole-5-carboxylate
분자식: C7H10N2O2S
분자량: 186.23

이름 및 동의어

Ethyl 2-amino-4-methylthiazole-5-carboxylate5-Thiazolecarboxylic acid, 2-amino-4-methyl-, ethyl esterDTXSID603220182-Amino-4-methyl-5-carbethoxythiazole2-Amino-5-(ethoxycarbonyl)-4-methylthiazoleEthyl 2-amino-4-methyl-5-thiazolylcarboxylateRefChem:138566DTXCID60273137628-116-2WZHUPCREDVWLKC-UHFFFAOYSA-N7210-76-6Ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate

이름 더 보기

에틸2-아미노-4-메틸티아졸-5-카르복실레이트AKOS BB-9152AKOS B000345ASISCHEM Y51232BUTTPARK 34\01-17IFLAB-BB F1920-0015TIMTEC-BB SBB000257OTAVA-BB BB0108540072ETHYL 2-AMINO-4-METHYLTHIAZOLE-5-CARBOX&

MFCD00123414Ethyl-2-amino-4-methyl-thiazole-5-Carboxylateethyl 2-amino-4-methyl-thiazole-5-carboxylateNSC4002312-amino-4-methyl-thiazole-5-carboxylic acid ethyl ester2-Amino-4-methylthiazole-5-carboxylic acid ethyl ester2-Amino-4-methyl-5-ethoxycarbonyl-thiazoleHMS559C03

데이터베이스 식별자

CAS: 7210-76-6
PubChem CID: 343747
DTXSID: DTXSID60322018
EC Number: 628-116-2
Nikkaji: J103.745E

물성

구조 계산 물성

XLogP: 1.6
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: 176 · 176-180 °C(lit.)
끓는 점: 313.1 · 313.1±22.0 °C(Predicted)
밀도: 1.283 · 1.283±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS pH 7.2 (1:1): 0.5 mg/ml
물리적 상태: powder to crystal
산도 계수 (pKa): 3.9 · 3.90±0.10(Predicted)
색상: 흰색에서 거의 흰색
수용성: 불용성
InChI: InChI=1S/C7H10N2O2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3,(H2,8,9)
InChIKey: WZHUPCREDVWLKC-UHFFFAOYSA-N
SMILES: S1C(C(OCC)=O)=C(C)N=C1N

화학적 성질

off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 5-Thiazolecarboxylic acid, 2-amino-4-methyl-, ethyl ester

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-22
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

2-아세틸아미노-4-메틸-티아졸-5-카르복실산 2-브로모-4-메틸티아졸-5-카르복시산 2-Amino-4-methyl-thiazole-5-carboxylic acid(2-hydroxy-ethyl)-amide 2-Isopropylamino-4-methyl-thiazole-5-carboxylic acid ethyl ester 4-메틸-2-프로필아미노-티아졸-5-카르복실산에틸에스테르 2-AMINO-4-METHYL-1,3-THIAZOLE-5-카보히드라지드 6-(4-플루오로페닐)-3-메틸이미다조[2,1-B]티아졸-2-카르복실산에틸에스테르 XEN723

공급사100 곳

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