2-(1-メチルエトキシ)ベンゼンアミン

2-(1-Methylethoxy)benzenamine

HCID 34436CAS 29026-74-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)Oc1ccccc1N
InChIKey: PZOZYLSYQJYXBI-UHFFFAOYSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
単同位体質量: 151.09971404

名称と識別子

優先名称: 2-(1-Methylethoxy)benzenamine
IUPAC: 2-propan-2-yloxyaniline
現地名: 2-(1-メチルエトキシ)ベンゼンアミン
英語名: 2-isopropoxyaniline
分子式: C9H13NO
分子量: 151.21

名称と別名

2-Isopropoxyaniline29026-74-2Benzenamine, 2-(1-methylethoxy)-o-Isopropoxyaniline2-(1-Methylethoxy)benzenamineOrtho-isopropoxyaniline8M3MFC22JXDTXSID20183268RefChem:87718DTXCID30105759249-377-52-(propan-2-yloxy)aniline

名称をさらに表示

2-(1-メチルエトキシ)ベンゼンアミン(2-イソプロポキシフェニル)アミン2-イソプロポキシアニリンANILINE, o-ISOPROPOXY-2-(1-Methylethoxy)anilineo-Izopropoksyanilina [Polish](2-isopropoxyphenyl)amine sulfate(2-isopropoxyphenyl)amine(SALTDATA: HCl)

2-Isopropoxy-phenylamine2-propan-2-yloxyanilineo-IpaMFCD00242947o-Izopropoksyanilina2-isopropoxyaniline sulfate2-(methylethoxy)phenylamine0-isopropoxyaniline

データベース識別子

CAS: 29026-74-2
PubChem CID: 34436
DTXSID: DTXSID20183268
UNII: 8M3MFC22JX
EC Number: 249-377-5
Nikkaji: J286.504A

物性

構造計算による物性

XLogP: 2
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 114

物理化学的性質

融点: 139 · 139-141℃
沸点: 273.23 °C · 273.23°C (rough estimate)
比重(密度): 1.0406 · 1.0406 (rough estimate)
屈折率: 1.538 · 1.5380 (estimate)
貯蔵温度: 2 · 2-8°C(protect from light)
外見: solid
酸解離定数(Pka): 5.17 · 5.17±0.10(Predicted)
InChI: 1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
InChIKey: PZOZYLSYQJYXBI-UHFFFAOYSA-N
SMILES: CC(C)Oc1ccccc1N

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.