4-アミノ-2-(アセチルアミノ)トルエン

2-Acetylamino-4-aminotoluene

HCID 79492CAS 5434-30-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)Nc1cc(N)ccc1C
InChIKey: UAZGSMMESOKKQZ-UHFFFAOYSA-N
分子式: C9H12N2O
平均分子量: 164.2 g/mol
単同位体質量: 164.09496301

名称と識別子

優先名称: 2-Acetylamino-4-aminotoluene
IUPAC: N-(5-amino-2-methylphenyl)acetamide
現地名: 4-アミノ-2-(アセチルアミノ)トルエン
英語名: N1-(5-Amino-2-methylphenyl)acetamide
分子式: C9H12N2O
分子量: 164.2

名称と別名

N-(5-amino-2-methylphenyl)acetamide5434-30-02-Acetylamino-4-aminotolueneAcetamide, N-(5-amino-2-methylphenyl)-2-Acetylamino-p-toluidineWXF5Z5A955EINECS 226-599-0NSC 15762NSC-15762UNII-WXF5Z5A955DTXSID8063882RefChem:84990

名称をさらに表示

N-(3-アミノ-6-メチルフェニル)アセトアミド4-アミノ-2-(アセチルアミノ)トルエン3'-アミノ-6'-メチルアセトアニリド3-アセチルアミノ-p-トルイジンN-(5-アミノ-2-メチルフェニル)アセトアミド2-(アセチルアミノ)-4-アミノトルエン4-アミノ-2-アセタミノトルエンN1-(5-アミノ-2-メチルフェニル)アセトアミド5'-アミノ-2'-メチルアセトアニリド3-アセトアミド-4-メチルアニリンN3-アセチル-4-メチル-1,3-フェニレンジアミンN1‐(5‐アミノ‐2‐メチルフェニル)アセトアミド3′-アミノ-6′-メチルアセトアニリド5-Amino-2-MethylacetanilideCompound Fr139653-Acetylamino-p-toluidineN-(5-Amino-2-methylphenyl)5-AMINO-2-METHYLACETANILINE2-METHYL-5-AMINOACETANILINE3'-Amino-6'-methylacetanilide

DTXCID0041690226-599-05'-Amino-2'-methylacetanilideN1-(5-AMINO-2-METHYLPHENYL)ACETAMIDEMFCD00047859N-(3-amino-6-methylphenyl)acetamideNSC157623-Acetamido-4-methylaniline

データベース識別子

CAS: 5434-30-0
PubChem CID: 79492
DTXSID: DTXSID8063882
UNII: WXF5Z5A955
EC Number: 226-599-0
Nikkaji: J153.405J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 55.1 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: 12
形式電荷: 0
複雑度: 170

物理化学的性質

融点: 141 °C · 141 °C
沸点: 362.1 · 362.1±30.0 °C(Predicted)
比重(密度): 1.163 · 1.163±0.06 g/cm3(Predicted)
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): 14.83 · 14.83±0.70(Predicted)
色: White to Light yellow
EPAの化学物質情報: Acetamide, N-(5-amino-2-methylphenyl)- (5434-30-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): 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]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, P317, 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.