기본 정보
- CAS
56231-76-6- 표준 SMILES
CN1CC2(c3cccc(O)c3)CCCC1C2- InChIKey
CACUHZYZLDBFQG-UHFFFAOYSA-N- 분자식
- C14H19NO
- 평균 분자량
- 217.31 g/mol
- 단동위원소 질량
- 217.14666423
이름 및 식별자
- 우선 이름
- 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol
- IUPAC
- 3-(6-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
이름 및 동의어
56231-76-6DTXSID909716593-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol3-(6-Methyl-6-azabicyclo[3.2.1]octan-1-yl)phenolRefChem:1066947DTXCID201399163BRN 1533301(+)-1-(m-Hydroxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octane5-21-03-00113 (Beilstein Handbook Reference)(+-)-1-(m-Hydroxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octanePhenol, 3-(6-methyl-6-azabicyclo(3.2.1)oct-1-yl)-, (+)-Phenol, 3-(6-methyl-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-
이름 더 보기
6-AZABICYCLO(3.2.1)OCTANE, 1-(m-HYDROXYPHENYL)-6-METHYL-, (+)-6-AZABICYCLO(3.2.1)OCTANE, 1-(m-HYDROXYPHENYL)-6-METHYL-, (+-)-CHEMBL3251374SCHEMBL11859768CACUHZYZLDBFQG-UHFFFAOYSA-N61098-46-2DB-299367(-)-3-[6-Methyl-6-azabicyclo[3.2.1]octan-1-yl ]phenol
데이터베이스 식별자
- CAS
56231-76-6、61098-46-2- PubChem CID
- 41798
- DTXSID
DTXSID90971659- ChEMBL
CHEMBL3251374- Nikkaji
- J84.609K、J84.610D
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 267
관련 반응
2건
화합물 노트
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