3-アミノ-α-メチルベンゼンメタノール

1-(3-Aminophenyl)ethanol

HCID 222461

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基本情報

CAS: 2454-37-7
標準SMILES: CC(O)c1cccc(N)c1
InChIKey: QPKNDHZQPGMLCJ-UHFFFAOYSA-N
分子式: C8H11NO
平均分子量: 137.18 g/mol
単同位体質量: 137.08406397

名称と識別子

優先名称: 1-(3-Aminophenyl)ethanol
IUPAC: 1-(3-aminophenyl)ethanol
現地名: 3-アミノ-α-メチルベンゼンメタノール
英語名: 3-(1-HYDROXYETHYL)ANILINE
分子式: C8H11NO
分子量: 137.18

名称と別名

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-

名称をさらに表示

α-メチル-3-アミノベンゼンメタノール1-(3-アミノフェニル)エタノール3-アミノ-α-メチルベンゼンメタノールα-メチル-3-アミノベンジルアルコール3-(1-ヒドロキシエチル)アニリン1-(3-アミノフェニル)エタノール, 98%1-(3-アミノフェニル)エタン-1-オール3-アミノ-α-メチルベンジルアルコールAMINO 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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

融点: 66 · 66-69 °C(lit.)
沸点: 217 °C · 217 °C
比重(密度): 1.063 · 1.0630 (rough estimate)
屈折率: 1.547 · 1.5470 (estimate)
闪点: 157 °C · 157 °C
貯蔵温度: 2 · 2-8°C, protect from light
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 14.53 · 14.53±0.20(Predicted)
色: White to Light yellow
BRN: 2802415 · 2802415
CAS データベース: 2454 · 2454-37-7(CAS DataBase Reference)

化学的性質

化学的特性slightly beige to grey-brown powder or lumps

安全と法規制

GHS分類

GHS Classification · 5 件

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.