기본 정보
- CAS
4091-50-3- 표준 SMILES
CNCCc1ccc(OC)cc1- InChIKey
JCMWSVNNSPUNER-UHFFFAOYSA-N- 분자식
- C10H15NO
- 평균 분자량
- 165.23 g/mol
- 단동위원소 질량
- 165.1153641
개요
N,O-dimethyltyramine is a secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group. It has a role as a metabolite. It is an aromatic ether and a secondary amino compound. It is functionally related to a tyramine, a N-methyltyramine and a 4-methoxyphenylethylamine.
이름 및 식별자
- 우선 이름
- 4-Methoxy-N-methylbenzeneethanamine
- IUPAC
- 2-(4-methoxyphenyl)-N-methylethanamine
- 현지명
- [2-(4-메톡시-페닐)-에틸]-메틸-아민
- 영어명
- [2-(4-Methoxy-phenyl)-ethyl]-methyl-amine
- 분자식
- C10H15NO
- 분자량
- 165.23
이름 및 동의어
4091-50-34-Methoxy-N-methylbenzeneethanamine2-(4-methoxyphenyl)-N-methylethanamineCompound 48-80N-(p-Methoxyphenethyl)methylamineN-Methyl-2-(4-methoxyphenyl)ethylamineJ18PF78JWQDTXSID80193904Preparation 4880Compound 4880Preparation 48 80Compound 48 80
이름 더 보기
[2-(4-메톡시-페닐)-에틸]-메틸-아민C48/80N,O-dimethyltyramineN-methylhomoanisylamine4-[2-(Methylamino)ethyl]anisoleN-Methyl 4-Methoxyphenethylaminep-Methoxy-N-methylphenethylaminep-methoxy-n-methyl-phenethylamin4-Methoxy-N-methylphenethylamine4-methoxy-n-methyl-benzeneethanamin
Agent 4880Agent 48 80Agent 48-80BW 4880BW 48 80BW 48-80RefChem:389177DTXCID80116395
데이터베이스 식별자
- CAS
4091-50-3
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 21.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 108
물리화학적 성질
- 끓는 점
- 83 °C/2mmHg · 83°C/2mmHg(lit.)
- 밀도
- 1.0203 · 1.0203 (rough estimate)
- 굴절률
- 1.522 to · 1.5220 to 1.5260
- 산도 계수 (pKa)
- 10.52 · 10.52±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Light orange to Yellow to Green
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
안전 데이터
- rtecs
- SH8110000
- ridadr
- 2810
- HS 번호
- 2922.29.8190
- 포장분류
- I
- 위험 등급
- 6.1(a)
화학 및 산업
응용 분야
개요This alkaloid has also been discovered recently in a further Coryphantha species, namely C. bumamma.
상·하류 제품 정보
하류 제품
공급사54 곳
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