3-(1-히드록시에틸)아닐린

1-(3-Aminophenyl)ethanol

HCID 222461

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2454-37-7
표준 SMILES: CC(O)c1cccc(N)c1
InChIKey: QPKNDHZQPGMLCJ-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 1-(3-Aminophenyl)ethanol
IUPAC: 1-(3-aminophenyl)ethanol
현지명: 3-(1-히드록시에틸)아닐린
영어명: 3-(1-HYDROXYETHYL)ANILINE
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

1-(3-Aminophenyl)ethanolDTXSID901031386RefChem:423299DTXCID601516385219-525-32454-37-73-(1-Hydroxyethyl)aniline1-(3-aminophenyl)ethan-1-olm-(1-Hydroxyethyl)anilineMFCD00007798Benzyl alcohol, m-amino-alpha-methyl-Benzenemethanol, 3-amino-alpha-methyl-

이름 더 보기

3-(1-히드록시에틸)아닐린3-(1-하이드록시에틸)아닐린AMINO HYDROXYTIMTEC-BB SBB0085593-(A-HYDROXYETHYL)ANILINEm-(alpha-Hydroxyethyl)aniline

m-Amino-alpha-methylbenzyl alcoholNSC 62018(m-Aminophenyl)methyl carbinolNSC 8392(3-Aminophenyl)-1-ethanolBenzenemethanol, 3-amino-.alpha.-methyl-3-(.alpha.-Hydroxyethyl)-anilinem-Aminophenylmethylcarbinol

데이터베이스 식별자

CAS: 2454-37-7
PubChem CID: 222461
DTXSID: DTXSID901031386
EC Number: 219-525-3
Nikkaji: J36.097J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 66 · 66-69 °C(lit.)
끓는 점: 217 °C · 217 °C
밀도: 1.063 · 1.0630 (rough estimate)
굴절률: 1.547 · 1.5470 (estimate)
인화점: 157 °C · 157 °C
저장 조건: 2 · 2-8°C, protect from light
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 14.53 · 14.53±0.20(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 2802415 · 2802415

화학적 성질

slightly beige to grey-brown powder or lumps

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.