기본 정보
- CAS
96732-05-7- 표준 SMILES
Cc1cc(C(=O)N[NH2+]CCc2ccccc2)no1.[Cl-]- InChIKey
WGSJVYMWCVACNY-UHFFFAOYSA-N- 분자식
- C13H16ClN3O2
- 평균 분자량
- 281.74 g/mol
- 단동위원소 질량
- 281.0931045
이름 및 식별자
- 우선 이름
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-phenethylhydrazide, hydrochloride
- IUPAC
- [(5-methyl-1,2-oxazole-3-carbonyl)amino]-(2-phenylethyl)azanium chloride
이름 및 동의어
96732-05-73-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-PHENETHYLHYDRAZIDE, HYDROCHLORIDERefChem:10680951-Phenethyl-2-(5-methyl-3-isoxazolylcarbonyl)hydrazine hydrochloride5-Methyl-N'-phenethylisoxazole-3-carbohydrazidehydrochloride5-Methyl-3-isoxazolecarboxylic acid 2-phenethylhydrazide hydrochloride[(5-methyl-1,2-oxazole-3-carbonyl)amino]-phenethylazanium chloride[(5-methyl-1,2-oxazole-3-carbonyl)amino]-(2-phenylethyl)azanium;chlorideCID57128, LS-86646, 5-Methyl-3-isoxazolecarboxylic acid 2-phenethylhydrazide hydrochloride, 1-Phenethyl-2-(5-methyl-3-isoxazolylcarbonyl)hydrazine hydrochloride, 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-PHENETHYLHYDRAZIDE, HYDROCHLORIDE, 96732-05-7
데이터베이스 식별자
- CAS
96732-05-7- PubChem CID
- 57128
물성
구조 계산 물성
- 극성 표면적
- 71.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 267
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