4-[(ヘキサヒドロ-1H-アゼピン)-1-イル]ベンゼンアミン

Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-

HCID 93643CAS 57356-18-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(N2CCCCCC2)cc1
InChIKey: RDUONPQXZRHVKQ-UHFFFAOYSA-N
分子式: C12H18N2
平均分子量: 190.28 g/mol
単同位体質量: 190.14699858

名称と識別子

優先名称: Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-
IUPAC: 4-(azepan-1-yl)aniline
現地名: 4-[(ヘキサヒドロ-1H-アゼピン)-1-イル]ベンゼンアミン
英語名: 4-(hexahydro-1H-azepin-1-yl)aniline
分子式: C12H18N2
分子量: 190.28

名称と別名

57356-18-0Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-4-(Hexahydro-1H-azepin-1-yl)anilineN-(4'-Aminophenyl)hexamethylenimineEINECS 260-692-7DTXSID0069177RefChem:561862DTXCID9042203260-692-74-(azepan-1-yl)aniline4-(1-Azepanyl)aniline(4-azepan-1-ylphenyl)amine

名称をさらに表示

4-[(ヘキサヒドロ-1H-アゼピン)-1-イル]ベンゼンアミン(4-アゼパン-1-イルフェニル)アミン[4-(1-AZEPANYL)PHENYL]AMINE DIHYDROCHLORIDE4-(1-アゼパニル)アニリン4-(アゼパン-1-イル)アニリン1-(4-Aminophenyl)azepane4-(Azepan-1-yl)aniline95%4-Azepan-1-ylaniline, HCl4-(Azepan-1-yl)aniline 95%Benzenamine,4-(hexahydro-1H-azepin-1-yl)-4-[(Hexahydro-1H-azepin)-1-yl]benzenamine(4-azepan-1-ylphenyl)amine(SALTDATA: 2HCl)1-(4-Aminophenyl)azepane, 1-(4-Aminophenyl)hexahydro-1H-azepine, 1-(4-Aminophenyl)homopiperidine

MFCD015364534-Azepan-1-yl-phenylamine4-azaperhydroepinylphenylamineMLS000068952SMR0000108374-azepanylaniline4-azepan-1-ylanilineOprea1_115278

データベース識別子

CAS: 57356-18-0
PubChem CID: 93643
DTXSID: DTXSID0069177
ChEMBL: CHEMBL1198356
EC Number: 260-692-7
Nikkaji: J349.141B

物性

構造計算による物性

XLogP: 3.1
極性表面積: 29.3 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: 1
重原子数: 14
形式電荷: 0
複雑度: 154

物理化学的性質

沸点: 359.6 · 359.6±25.0 °C(Predicted)
比重(密度): 1.047 · 1.047±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C, · -20°C, protect from light
酸解離定数(Pka): 7.8 · 7.80±0.40(Predicted)
EPAの化学物質情報: 4 · Benzenamine, 4-(hexahydro-1H-azepin-1-yl)- (57356-18-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+P354+P338, P317, P319, P321, P330, P332+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 1 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

tsca: TSCA listed
hs_code: 2933998090
hazard_class: IRRITANT

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-(hexahydro-1H-azepin-1-yl)-: INACTIVE

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武汉凯威斯科技有限公司027-67849912 · [email protected]

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