기본 정보
- CAS
4838-96-4- 표준 SMILES
CNCCc1cc(OC)c(OC)c(OC)c1- InChIKey
OTXANOLOOUNVSR-UHFFFAOYSA-N- 분자식
- C12H19NO3
- 평균 분자량
- 225.28 g/mol
- 단동위원소 질량
- 225.13649347
개요
N-methylmescaline is a member of the class of methoxybenzenes that is benzene substituted by a 2-(methylamino)ethyl at position 1 and by methoxy groups at positions 3, 4 , and 5. It has a role as a plant metabolite. It is a phenethylamine alkaloid, a secondary amino compound and a member of methoxybenzenes. It is functionally related to a mescaline. It is a conjugate base of a N-methylmescalinium.
이름 및 식별자
- 우선 이름
- N-Methylmescaline
- IUPAC
- N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
이름 및 동의어
N-MethylmescalineRefChem:8307374838-97-44838-96-4N-Methyl-2-(3,4,5-trimethoxyphenyl)ethanamineBenzenethanamine, 3,4,5-trimethoxy-N-methyl-Benzenethanamine,3,4,5-trimethoxy-N-methyl-methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amineLNN57P8WGGn-Methyl-2-(3,4,5-trimethoxyphenyl)ethan-1-amineN-methyl-3,4,5-trimethoxyphenethylamineBenzeneethanamine,3,4,5-trimethoxy-N-methyl-
이름 더 보기
AC1L3CNABenzeneethanamine, 3,4,5-trimethoxy-N-methyl-Mescaline, N-methyl-UNII-LNN57P8WGGPhenethylamine, 3,4,5-trimethoxy-N-methyl-C08310CHEBI:7319CHEMBL100531
데이터베이스 식별자
- CAS
4838-96-4- PubChem CID
- 138365
- DTXSID
DTXSID00197505- ChEMBL
CHEMBL100531- ChEBI
CHEBI:7319- UNII
- LNN57P8WGG
- Nikkaji
- J886.522A
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 39.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 175
관련 반응
9건
화합물 노트
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