Methyl 2-aminothiazole-5-carboxylate
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기본 정보
- CAS
6633-61-0- 표준 SMILES
COC(=O)c1cnc(N)s1- InChIKey
UJNNCGWBDJHCEM-UHFFFAOYSA-N- 분자식
- C5H6N2O2S
- 평균 분자량
- 158.18 g/mol
- 단동위원소 질량
- 158.01499861
이름 및 식별자
- 우선 이름
- Methyl 2-aminothiazole-5-carboxylate
- IUPAC
- methyl 2-amino-1,3-thiazole-5-carboxylate
- 영어명
- Methyl 2-aminothiazole-5-carboxylate
- 분자식
- C5H6N2O2S
- 분자량
- 158.18
이름 및 동의어
Methyl 2-aminothiazole-5-carboxylateDTXSID60285518RefChem:814122DTXCID40236669640-111-76633-61-0Methyl 2-amino-1,3-thiazole-5-carboxylateMFCD037885625-THIAZOLECARBOXYLIC ACID, 2-AMINO-, METHYL ESTERSCHEMBL33099MLS0026083652-amino-5-carbomethoxy-thiazole
이름 더 보기
NSC 42123RARECHEM AL BF 12632-aminothiazole-5-carboxylate2-aminothiazole-5-methyl formate2-AMino-5-(Methoxycarbonyl)thiazoleMethyl 2-AMino-5-thiazolecarboxylateMethyl 2-Aminothioazole-5-carboxylate2-Amino-5-(methoxycarbonyl)-1,3-thiazoleMethyl 2-Aminothiazole-5-carboxylate >
2-aminothiazole-5-carboxylic acid methyl esterHMS3078M17FS-2685BP-10836Methyl 2-imino-2,3-dihydrothiazole-5-carboxylateMethyl 2-imino-2,3-dihydro-1,3-thiazole-5-carboxylateMethyl2-aminothiazole-5-carboxylateNSC42123
데이터베이스 식별자
- CAS
6633-61-0- PubChem CID
- 238005
- DTXSID
DTXSID60285518- ChEMBL
CHEMBL1886840- EC Number
- 640-111-7
물성
구조 계산 물성보충 중
- XLogP
- 0.8
- 극성 표면적
- 93.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 142
물리화학적 성질
- 녹는점
- 182 · 182-186°C
- 끓는 점
- 298.7 · 298.7±13.0 °C(Predicted)
- 밀도
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 3.02 · 3.02±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 황갈색에서 연한 갈색까지
- InChI
- InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3,(H2,6,7)
- InChIKey
- UJNNCGWBDJHCEM-UHFFFAOYSA-N
- SMILES
- S1C(C(OC)=O)=CN=C1N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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, P317, 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 4 reports by companies from 4 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (75%)
안전 데이터
- HS 번호
- 29349990
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 위험 참고 사항
- Harmful
화학 및 산업
응용 분야
용도Methyl 2-Aminothiazole-5-carboxylate (cas# 6633-61-0) is a compound useful in organic synthesis.
상·하류 제품 정보
상류 원료
관련 반응
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