4-アミノ-α-メチルベンゼンメタノール

4-Amino-alpha-methylbenzenemethanol

HCID 85753CAS 14572-89-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(O)c1ccc(N)cc1
InChIKey: JDEYBJHOTWGYFE-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: 4-Amino-alpha-methylbenzenemethanol
IUPAC: 1-(4-aminophenyl)ethanol
現地名: 4-アミノ-α-メチルベンゼンメタノール
英語名: 1-(4-Aminophenyl)ethanol
分子式: C8H11NO
分子量: 137.18

名称と別名

14572-89-54-Amino-alpha-methylbenzyl alcohol4-Amino-alpha-methylbenzenemethanolRefChem:518034238-613-21-(4-Aminophenyl)ethanol4-(1-Hydroxyethyl)aniline4-aminophenyl ethanol1-(4-aminophenyl)ethan-1-olMFCD00014781Benzenemethanol, 4-amino-alpha-methyl-(R)-1-(4-Aminophenyl)ethan-1-ol

名称をさらに表示

4-アミノ-α-メチルベンジルアルコール1-(4-アミノフェニル)エタノール4-アミノ-α-メチルベンゼンメタノールα-メチル-4-アミノベンゼンメタノール1-(4-アミノフェニル)エタノール, 97%1-(4-アミノフェニル)エタン-1-オールp-アミノ-α-メチルベンジルアルコール1-(4-Aminophenyl)ethanolL1-(4-AMINOPHENYL)ETHANOL 98%P-AMINOPHENYLMETHYL CARBINOL4-(alpha-Hydroxyethyl)aniline(1R)-1-(4-aminophenyl)ethanol

(S)-1-(4-Aminophenyl)ethan-1-ol4-Amino-a-methyl-benzenemethanolEINECS 238-613-21-(p-aminophenyl)ethanol1-(4-aminophenyl)-ethanol4-Aminophenyl methylcarbinolSCHEMBL566671-(4-amino-phenyl)-ethanol

データベース識別子

CAS: 14572-89-5
PubChem CID: 85753
DTXSID: DTXSID70932682
EC Number: 238-613-2
Nikkaji: J141.593J

物性

構造計算による物性

XLogP: 0.8
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: 97

物理化学的性質

融点: 70 · 70-74 °C(lit.)
沸点: 289 ℃ · 289℃
比重(密度): 1.117 · 1.117
闪点: 128 ℃ · 128℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
酸解離定数(Pka): 14.89 · 14.89±0.20(Predicted)
BRN: 2828328 · 2828328
InChI: 1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3
InChIKey: JDEYBJHOTWGYFE-UHFFFAOYSA-N
SMILES: CC(O)c1ccc(N)cc1
CAS データベース: 14572 · 14572-89-5(CAS DataBase Reference)

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]；H335 (100%): 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 40 reports by companies from 3 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.