2-(3-히드록시페닐)에틸아민

m-Tyramine

HCID 11492CAS 588-05-6

기본 정보

표준 SMILES: NCCc1cccc(O)c1
InChIKey: GHFGJTVYMNRGBY-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

개요

M-tyramine is a primary amino compound that is 2-phenylethanamine substituted by a hydroxy group at position 3. It has a role as a neurotransmitter and a human urinary metabolite. It is a member of tyramines and a primary amino compound. It is a conjugate base of a m-tyraminium.

이름 및 식별자

우선 이름: m-Tyramine
IUPAC: 3-(2-aminoethyl)phenol
현지명: 2-(3-히드록시페닐)에틸아민
영어명: 2-(3-Hydroxyphenyl)ethylamine
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

m-Tyramine3-(2-AMINOETHYL)PHENOL588-05-63-Tyraminemeta-Tyramine3-Hydroxyphenylethylamine2-(3-HYDROXYPHENYL)ETHYLAMINEPhenol, 3-(2-aminoethyl)-m-HydroxyphenethylamineK1OA38R0EZDTXSID50207522CHEBI:89626

이름 더 보기

2-(3-히드록시페닐)에틸아민3-(2-Aminoethyl)phenol HBrAURORA KA-7836RARECHEM AN KA 0120M-(2-AMinoethyl)phenol

RefChem:154898DTXCID001300133-(2-Amino-ethyl)-phenol3-HydroxyphenethylamineMetatyramineMFCD06654561Phenol, m-(2-aminoethyl)-CHEMBL145584

데이터베이스 식별자

CAS: 588-05-6
PubChem CID: 11492
DTXSID: DTXSID50207522
ChEMBL: CHEMBL145584
ChEBI: CHEBI:89626
UNII: K1OA38R0EZ
EC Number: 671-526-1
Nikkaji: J259.678D

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

실험 및 물리화학적 성질

Solubility10.4 mg/mL at 15 °C

Melting Point164 - 165 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 140 °C · 140 °C
끓는 점: 275.5 · 275.5±15.0 °C(Predicted)
밀도: 1.103 · 1.103±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 2 O: · H2O: ≥10 mg/mL
산도 계수 (pKa): 9.58 · 9.58±0.10(Predicted)
물리적 상태: 고체
색상: 회백색부터 황갈색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.