N-Methylmescaline

HCID 138365

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

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