(3-Amino-2-methylphenyl)methanol

HCID 577175CAS 83647-42-1

기본 정보

표준 SMILES: Cc1c(N)cccc1CO
InChIKey: UVYZMJMDIMWDNJ-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: (3-Amino-2-methylphenyl)methanol
IUPAC: (3-amino-2-methylphenyl)methanol
영어명: 3-Amino-2-methylbenzyl alcohol
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

(3-Amino-2-methylphenyl)methanol83647-42-13-Amino-2-methylbenzyl alcoholbenzenemethanol, 3-amino-2-methyl-DTXSID00341940RefChem:399833DTXCID90293020627-527-4InChI=1/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1HMFCD000750283-Amino-2-methyl-benzyl Alcohol3-amino-2-methylbenzylalcohol

이름 더 보기

Oct-7-enylamine(3-Amino-2-methylphenyl)3-Amino-2-methylbenzenemethanol3-Amino-2-methylbenzyl alcohol 97%3-Amino-2-methylbenzyl alcohol USP/EP/BP(3-Amino-2-methylphenyl)methanol - [A89288]

(3-amino-2-methyl-phenyl)methanolAKOS009157147SB38932AC-23854TS-01771F10316Z425792776(3-Amino-2-methylphenyl)methanol; 2-Methyl-3-hydroxymethylaniline

데이터베이스 식별자

CAS: 83647-42-1
PubChem CID: 577175
DTXSID: DTXSID00341940
EC Number: 627-527-4
Nikkaji: J3.578.654F

물성

구조 계산 물성

XLogP: 0.7
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: 106 · 106-108 °C (lit.)
끓는 점: 300.8 · 300.8±27.0 °C(Predicted)
밀도: 1.126 · 1.126±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 14.53 · 14.53±0.10(Predicted)
색상: 황백색에서 연한 주황색/보라색
InChI: 1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3
InChIKey: UVYZMJMDIMWDNJ-UHFFFAOYSA-N
SMILES: Cc1c(N)cccc1CO

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.