기본 정보
- CAS
67467-83-8- 표준 SMILES
CCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1- InChIKey
MQHLMHIZUIDKOO-UHFFFAOYSA-N- 분자식
- C21H35NO
- 평균 분자량
- 317.5 g/mol
- 단동위원소 질량
- 317.27186474
이름 및 식별자
- 우선 이름
- 2,6-Dimethyl-4-(2-methyl-3-(4-(2-methylbutan-2-yl)phenyl)propyl)morpholine
- IUPAC
- 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
- 영어명
- Amorolfine
- 분자식
- C21H35NO
- 분자량
- 317.51
이름 및 동의어
67467-83-8DTXSID808610102,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine2,6-Dimethyl-4-(2-methyl-3-(4-(2-methylbutan-2-yl)phenyl)propyl)morpholineRefChem:1060270DTXCID90206953Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-2,6-dimethyl-4-(2-methyl-3-(4-(tert-pentyl)phenyl)propyl)morpholineMorpholine,4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-,(2R,6S)-rel-106614-68-0Ro 14-4767-002
이름 더 보기
AmorofenAmorophenAMOROLFINE(+/-)-AmorolfineAmorolfine Impurity 22Voriconazole Impurity 97(2R,6S)-4-[3-(4-tert-amylphenyl)-2-methyl-propyl]-2,6-dimethyl-morpholinecis-4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
Amorolfine Impurity 19SCHEMBL933541MQHLMHIZUIDKOO-UHFFFAOYSA-NAKOS030228146NS00077906H531994-[3-(p-tert.-amyl-phenyl)-2-methyl-propyl]-2,6-dimethylmorpholine4-[3-(p-tert.amyl-phenyl)-2-methyl-propyl]-2,6-dimethyl-morpholine
데이터베이스 식별자
- CAS
67467-83-8- PubChem CID
- 2168
- DTXSID
DTXSID80861010- Nikkaji
- J3.047.272A
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 336
실험 및 물리화학적 성질
DrugsPharmaceuticals
물리화학적 성질
- 끓는 점
- 407.1 · 407.1±33.0 °C(Predicted)
- 밀도
- 0.924 · 0.924±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator, under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 7.33 · 7.33±0.10(Predicted)
- 색상
- 무색
화학 및 산업
응용 분야
용도Antimycotic.
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