기본 정보
- CAS
16648-69-4- 표준 SMILES
COc1cccc(C(=O)CCNC(C)C(O)c2ccccc2)c1.Cl- InChIKey
JMUPNNYLJGSMPK-UHFFFAOYSA-N- 분자식
- C19H24ClNO3
- 평균 분자량
- 349.8 g/mol
- 단동위원소 질량
- 349.1444713
이름 및 식별자
- 우선 이름
- 3-[(2-Hydroxy-1-methyl-2-phenylethyl)amino]-3'-methoxypropiophenone hydrochloride
- IUPAC
- 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
이름 및 동의어
16648-69-4DL-Oxyfedrine hydrochloride3-[(2-Hydroxy-1-methyl-2-phenylethyl)amino]-3'-methoxypropiophenone hydrochloride3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-methoxyphenyl)propan-1-one;hydrochlorideOxyfedrine DL-form HClFDA 1576; Ildamen; Modacor3-((2-Hydroxy-1-methyl-2-phenylethyl)amino)-3'-methoxypropiophenone hydrochlorideEINECS 240-696-5SCHEMBL27491599DTXSID60937202JMUPNNYLJGSMPK-UHFFFAOYSA-N1-Propanone, 3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, hydrochloride
이름 더 보기
3-[(2-hydroxy-1-methyl-2-phenylethyl)amino]-3/'-methoxypropiophenone hydrochlorideNS00085632Propiophenone, 3-((beta-hydroxy-alpha-methylphenethyl)amino)-3'-methoxy-, hydrochloride(3R)-3-(((1S)-1-Hydroxy-1-phenylpropan-2-yl)amino)-3-methoxy-1-phenylpropan-1-one hydrochloride3-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-1-(3-methoxyphenyl)propan-1-one--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
16648-69-4- PubChem CID
- 27972
- DTXSID
DTXSID60937202
물성
구조 계산 물성
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 355
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