CAS 4899-26-7 2-Amino-1-(naphthalen-2-yl)ethan-1-ol (HCID 2735379)

基本情報

CAS: 4899-26-7
標準SMILES: NCC(O)c1ccc2ccccc2c1
InChIKey: PGJHAXAIVJIVSM-UHFFFAOYSA-N
分子式: C12H13NO
平均分子量: 187.24 g/mol
単同位体質量: 187.09971404

名称と識別子

優先名称: 2-Amino-1-(naphthalen-2-yl)ethan-1-ol
IUPAC: 2-amino-1-naphthalen-2-ylethanol
現地名: 2-(2-アミノ-1-ヒドロキシエチル)ナフタレン
英語名: 2-Amino-1-(2-naphthyl)-1-ethanol
分子式: C12H13NO
分子量: 187.24

名称と別名

5696-74-22-amino-1-(naphthalen-2-yl)ethan-1-olRefChem:463225864-129-12-Amino-1-(2-naphthyl)-1-ethanol4899-26-72-Amino-1-(2-naphthyl)ethanol2-amino-1-(naphthalen-2-yl)ethanol2-amino-1-naphthalen-2-ylethanolMFCD00974251Bionet2_0007802-(2-Amino-1-hydroxyethyl)naphthalene

名称をさらに表示

2-(2-アミノ-1-ヒドロキシエチル)ナフタレン2-AMINO-1-(NAPHTHYL)-1-ETHANOL2-Amino-1-(naphth-2-yl)ethan-1-ol

Oprea1_494338CHEMBL19301SCHEMBL4945583SCHEMBL30353291DTXSID50370700PGJHAXAIVJIVSM-UHFFFAOYSA-NHMS1366D10FAA69674

データベース識別子

CAS: 4899-26-7、5696-74-2
PubChem CID: 2735379
DTXSID: DTXSID50370700
ChEMBL: CHEMBL19301
EC Number: 864-129-1
Nikkaji: J532.105K

物性

構造計算による物性

XLogP: 1.7
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: 2
重原子数: 14
形式電荷: 0
複雑度: 183

物理化学的性質

融点: 122 · 122-124°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.