메톡시페닐에틸아민
O-Methyltyramine
기본 정보
- CAS
2045-79-6- 표준 SMILES
COc1ccc(CCN)cc1- InChIKey
LTPVSOCPYWDIFU-UHFFFAOYSA-N- 분자식
- C9H13NO
- 평균 분자량
- 151.21 g/mol
- 단동위원소 질량
- 151.09971404
개요
4-methoxyphenylethylamine is a primary amino compound consisting of ethylamine having a 4-methoxyphenyl substituent at the 2-position. It derives from a hydride of a 2-phenylethylamine.
이름 및 식별자
- 우선 이름
- O-Methyltyramine
- IUPAC
- 2-(4-methoxyphenyl)ethanamine
- 현지명
- 메톡시페닐에틸아민
- 영어명
- 4-Methoxyphenethylamine
- 분자식
- C9H13NO
- 분자량
- 151.21
이름 및 동의어
4-Methoxyphenethylamine55-81-2Homoanisylaminep-Methoxyphenethylamine4-MethoxybenzeneethanamineO-Methyltyramine4-MethoxyphenylethylamineBenzeneethanamine, 4-methoxy-P-METHOXYPHENYLETHYLAMINE2-(4-Methoxyphenyl)Ethan-1-AmineTyramine, O-methyl-USAF EL-52
이름 더 보기
메톡시페닐에틸아민4-메톡시펜에틸아민2-(4-Methoxyphenyl)ethanamineMethyl Tyramine2-(4-METHOXYPHENYL)ETHYLAMINE4-MPEAusafel-52RARECHEM AL BW 0058
PHENETHYLAMINE, p-METHOXY-NSC 43687EINECS 200-245-5BRN 0508967DTXSID6058764NSC-436872-(4-methoxyphenyl)-ethylamineCHEBI:266039
데이터베이스 식별자
- CAS
2045-79-6、55-81-2- PubChem CID
- 4657
- DTXSID
DTXSID6058764- ChEMBL
CHEMBL101036- ChEBI
CHEBI:266039- UNII
- UCE8P23XWF
- EC Number
- 200-245-5、218-066-6
- Nikkaji
- J74.924I
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 35.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 97.7
물리화학적 성질
- 녹는점
- 249 · 249-251°C
- 끓는 점
- 138 · 138-140 °C20 mm Hg(lit.)
- 밀도
- 1.031 g/mL · 1.031 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.538(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 9.96 · 9.96±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 연노랑
- BRN
- 508967 · 508967
- InChI
- InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
- InChIKey
- LTPVSOCPYWDIFU-UHFFFAOYSA-N
- SMILES
- C1(CCN)=CC=C(OC)C=C1
- NIST
- 4 · Benzeneethanamine, 4-methoxy-(55-81-2)
- EPA
- 4 · Benzeneethanamine, 4-methoxy- (55-81-2)
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 106) of reports.
Danger
H314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
REACH registered substance: p-methoxyphenethylamine (EC: 200-245-5)
2-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Corr. 1C (99.1%)
Skin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SH7875000
- ridadr
- UN 2735 8/PG 3
- HS 번호
- 29222900
- risk_code
- 34
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-27
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 10-23
- 위험 참고 사항
- Toxic/Corrosive
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzeneethanamine, 4-methoxy-: ACTIVE
응용 분야
용도4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.
일반 설명4-Methoxyphenethylamine inhibits the monoamine oxidase-catalyzed deamination of both tyramine and tryptamine.
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하류 제품
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