기본 정보
- CAS
92739-10-1- 표준 SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.O=[N+]([O-])[O-]- InChIKey
UIERGBJEBXXIGO-UHFFFAOYSA-N- 분자식
- C12H17N4OS.NO3
- 평균 분자량
- 327.36 g/mol
이름 및 식별자
- 우선 이름
- Thiamine Nitrate
- IUPAC
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate
- 영어명
- 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium nitrate
- 분자식
- C12H17N5O4S
- 분자량
- 327.36
이름 및 동의어
thiamine nitrate532-43-4THIAMINE MONONITRATEVitamin B1 mononitrateAneurine mononitrateBetabion mononitrateThiamine nitrate (salt)thiamin mononitrateDTXSID4038762Thiamini mononitrasVitamin b1 (as thiamine nitrate)8K0I04919X
이름 더 보기
Einecs 208-537-43-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium nitrate3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m-ethylthiazolium nitrate (salt)
Thiamine mononitrate (USP)Thiamine mononitrate [USP]DTXCID20187623-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrateMononitrate, ThiamineRefChem:1892523-(4-Amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazolium nitrate
데이터베이스 식별자
- CAS
92739-10-1- ChEMBL
CHEMBL2104496- UNII
- 8K0I04919X
- EC Number
- 208-537-4
물성
구조 계산 물성
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 287
실험 및 물리화학적 성질
CosmeticsSkin conditioning
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (67 of 67) of all reports.
Not Classified
Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, nitrate (salt)
Regulation (EC) No 1831/2003 (amended)
Thiamine mononitrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
용도 및 제조
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationThiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, nitrate (1:1): ACTIVE
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