기본 정보
- CAS
401629-24-1- 표준 SMILES
Cc1ccccc1N=Cc1c(COP(=O)(O)O)cnc(C)c1O- InChIKey
YGXRGSRQYFPNAJ-UHFFFAOYSA-N- 분자식
- C15H17N2O5P
- 평균 분자량
- 336.28 g/mol
- 단동위원소 질량
- 336.08750864
이름 및 식별자
- 우선 이름
- 3-Pyridinemethanol, 5-hydroxy-6-methyl-4-(((2-methylphenyl)imino)methyl)-, alpha-(dihydrogen phosphate)
- IUPAC
- [5-hydroxy-6-methyl-4-[(2-methylphenyl)iminomethyl]-3-pyridinyl]methyl dihydrogen phosphate
이름 및 동의어
401629-24-13-Pyridinemethanol, 5-hydroxy-6-methyl-4-(((2-methylphenyl)imino)methyl)-, alpha-(dihydrogen phosphate)3-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, alpha-(dihydrogen phosphate)RefChem:2823313-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, .alpha.-(dihydrogen phosphate)927-752-0DTXSID001114230AKOS005385609(5-Hydroxy-6-methyl-4-{[(2-methylphenyl)imino]methyl}pyridin-3-yl)methyl dihydrogen phosphate3-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, I+/--(dihydrogen phosphate)
데이터베이스 식별자
- CAS
401629-24-1- PubChem CID
- 3962307
- DTXSID
DTXSID001114230- EC Number
- 927-752-0
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 455
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 3-Pyridinemethanol, 5-hydroxy-6-methyl-4-[[(2-methylphenyl)imino]methyl]-, α-(dihydrogen phosphate) (EC: 927-752-0)
Hazard Classes and CategoriesNot Classified
관련 반응
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