기본 정보
- 표준 SMILES
COc1cccc(C2(O)CCCCC2CN(C)C)c1- InChIKey
TVYLLZQTGLZFBW-UHFFFAOYSA-N- 분자식
- C16H25NO2
- 평균 분자량
- 263.37 g/mol
- 단동위원소 질량
- 263.18852904
개요
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol is a tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. It is a tertiary alcohol, an aromatic ether and a tertiary amino compound. It is functionally related to a cyclohexanol.
이름 및 식별자
- 우선 이름
- 2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
- IUPAC
- 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
- 현지명
- 2-[(디메틸아미노)메틸]-1-(3-메톡시페닐)사이클로헥산-1-올
- 영어명
- 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
- 분자식
- C16H25NO2
- 분자량
- 263.38
이름 및 동의어
2914-77-42-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanolCHEBI:757222-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanolRefChem:1060573Ultram2-[(DIMETHYLAMINO)METHYL]-1-(3-METHOXYPHENYL)CYCLOHEXAN-1-OL2-Dimethylaminomethyl-1-(m-methoxyphenyl)cyclohexanolcis,trans-(+-)-L 201Cyclohexanol, 2-(dimethylaminomethyl)-1-(m-methoxyphenyl)-NIOSH/GV8924900GV89249000
이름 더 보기
2-[(디메틸아미노)메틸]-1-(3-메톡시페닐)사이클로헥산-1-올Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)-1-cyclohexanolTramadol EP Impurity AQ: What is Tramadol EP Impurity A Q: What is the CAS Number of Tramadol EP Impurity A Q: What is the storage condition of Tramadol EP Impurity A Q: What are the applications of Tramadol EP Impurity A
181289-58-72-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexan-1-ol(1R,2S)-2-[(Dimethylamino)Methyl]-1-(3-Methoxyphenyl)Cyclohexanol HydrochlorideCyclohexanol, 2-((dimethylamino)methyl)-1-(m-methoxyphenyl)-, (+-)-cis,trans-EINECS 220-831-4AdolontaMaxitramTilodol
데이터베이스 식별자
- CAS
2914-77-4- PubChem CID
- 5523
- DTXSID
DTXSID00860388- ChEBI
CHEBI:75722- EC Number
- 220-831-4
- Nikkaji
- J48.558F
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 282
실험 및 물리화학적 성질
DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 406.62 °C · 406.62°C (rough estimate)
- 밀도
- 0.9903 · 0.9903 (rough estimate)
- 굴절률
- 1.4909 · 1.4909 (estimate)
- 산도 계수 (pKa)
- 14.47 · 14.47±0.40(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사1 곳
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
추가 설명
정의ChEBI: A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively.
관련 반응
28건
연결된 노트
불러오는 중…