2-[(디메틸아미노)메틸]-1-(3-메톡시페닐)사이클로헥산-1-올

2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol

HCID 5523CAS 2914-77-4

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

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

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

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