(3-Amino-4-methylphenyl)methanol

HCID 586243CAS 81863-45-8

기본 정보

표준 SMILES: Cc1ccc(CO)cc1N
InChIKey: BCQKYGYTOHXGLL-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: (3-Amino-4-methylphenyl)methanol
IUPAC: (3-amino-4-methylphenyl)methanol
영어명: 3-Amino-4-methylbenzyl alcohol
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

(3-Amino-4-methylphenyl)methanol81863-45-8benzenemethanol, 3-amino-4-methyl-RefChem:399850628-925-0InChI=1/C8H11NO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5,9H2,1H3-Amino-4-methylbenzyl alcoholMFCD000750513-amino-4-methylbenzylalcohol3-amino4-methylbenzyl alcoholSCHEMBL703673SCHEMBL4056677

이름 더 보기

(3-Amino-4-methylphenyl)3-amino-4-methylphenmethylol3-AMino-4-Methylbenzyl alcohol 97%3-AMINO-4-METHYLBENZYL ALCOHOL USP/EP/BP

3-Amino 4-methylbenzyl alcohol3-(hydroxymethyl)-6-methylaniline(3-amino-4-methyl-phenyl)methanol(3-Amino-4-methylphenyl)methanol #SBB054776(3-amino-4-methylphenyl)methan-1-olAKOS0062239233-Amino-4-methylbenzyl alcohol, 97%

데이터베이스 식별자

CAS: 81863-45-8
PubChem CID: 586243
EC Number: 628-925-0
Nikkaji: J1.701.582F

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: 107 · 107-109 °C (lit.)
끓는 점: 297.5 · 297.5±25.0 °C(Predicted)
밀도: 1.126 · 1.126±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 14.53 · 14.53±0.10(Predicted)
색상: White to Light yellow to Light orange
InChI: 1S/C8H11NO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5,9H2,1H3
InChIKey: BCQKYGYTOHXGLL-UHFFFAOYSA-N
SMILES: Cc1ccc(CO)cc1N

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]；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, 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.