2-아미노-1-(4-메틸페닐)에탄올

2-Amino-1-(4-methylphenyl)ethan-1-ol

HCID 3519929CAS 53360-85-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(C(O)CN)cc1
InChIKey: JHBXVBYRGVHEAH-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: 2-Amino-1-(4-methylphenyl)ethan-1-ol
IUPAC: 2-amino-1-(4-methylphenyl)ethanol
현지명: 2-아미노-1-(4-메틸페닐)에탄올
영어명: 2-amino-1-(4-methylphenyl)ethanol
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

2-amino-1-(4-methylphenyl)ethan-1-olRefChem:463189825-014-12-amino-1-(4-methylphenyl)ethanol53360-85-32-Amino-1-(p-tolyl)ethanolMFCD03840176alpha-(Aminomethyl)-4-methyl-benzenemethanol; 2-Amino-1-(4-methylphenyl)ethanol; alpha-(Aminomethyl)-4-methylbenzyl Alcohol; alpha-(Aminomethyl)-p-methylbenzyl AlcoholBenzenemethanol, a-(aminomethyl)-4-methyl-F2189-0836SCHEMBL531326(S)-2-amino-1-p-tolylethanol

이름 더 보기

2-아미노-1-(4-메틸페닐)에탄올AKOS BBV-002874Octopamine Impurity 62-AMINO-1-P-TOLYL-ETHANOL2-Amino-1-(p-tolyl)ethan-1-ol2-AMino-1-(4-Methylphenyl)ethanol HClα-(AMinoMethyl)-p-Methylbenzyl Alcoholα-(AMinoMethyl)-4-Methylbenzyl Alcoholα-(AMinoMethyl)-4-Methyl-benzeneMethanolBENZENEMETHANOL, α-(AMINOMETHYL)-4-METHYL-

DTXSID40393261DTXSID90903137JHBXVBYRGVHEAH-UHFFFAOYSA-NSBB079744AKOS000123489AKOS016051327AS-87350SY174293

데이터베이스 식별자

CAS: 53360-85-3
PubChem CID: 3519929
DTXSID: DTXSID40393261
EC Number: 825-014-1
Nikkaji: J532.133F

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 68 · 68-69 °C(Solv: hexane (110-54-3))
끓는 점: 300.9 · 300.9±27.0 °C(Predicted)
밀도: 1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.17 · 12.17±0.35(Predicted)
색상: 하얀색

화학적 성질

Light Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.