N-フェニルシクロヘキサン-1-アミン

N-Cyclohexylaniline

HCID 74567CAS 1821-36-9

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(NC2CCCCC2)cc1
InChIKey: TXTHKGMZDDTZFD-UHFFFAOYSA-N
分子式: C12H17N
平均分子量: 175.27 g/mol
単同位体質量: 175.13609954

名称と識別子

優先名称: N-Cyclohexylaniline
IUPAC: N-cyclohexylaniline
現地名: N-フェニルシクロヘキサン-1-アミン
英語名: N-Cyclohexylaniline
分子式: C12H17N
分子量: 175.27

名称と別名

N-CyclohexylanilineBenzenamine, N-cyclohexyl-CyclohexylphenylamineN-CyclohexylbenzenaminePhenylcyclohexylamineEINECS 217-344-4DTXSID6061997RefChem:163156DTXCID0035792217-344-4TXTHKGMZDDTZFD-UHFFFAOYSA-N1821-36-9

名称をさらに表示

シクロヘキシルフェニルアミンN-フェニルシクロヘキサン-1-アミンN-シクロヘキシルアニリンN-フェニルシクロヘキサンアミンN-シクロヘキシルベンゼンアミンフェニルシクロヘキシルアミンN-CyclohexyIanilineN1-CYCLOHEXYLANILINEPHENYL CYCLOHEXYLAMINEN-Cyclohexylaniline,98%N-Phenylcyclohexanaminen-cyclohexyl-benzenamin

N-PhenylcyclohexylamineAniline, N-cyclohexyl-Cyclohexylamine, N-phenyl-Cyclohexanamine, N-phenyl-Diphenylamine, ar-hexahydro-cyclohexyl(phenyl)amineMFCD00014284N-Cyclohexyl-Benzenamine

データベース識別子

CAS: 1821-36-9
PubChem CID: 74567
DTXSID: DTXSID6061997
UNII: 949TFM4PMV
EC Number: 217-344-4
Nikkaji: J68.528C

物性

構造計算による物性

XLogP: 3.7
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 132

物理化学的性質

融点: 14 · 14-15°C
沸点: 191 · 191-192 °C (73 mmHg)
比重(密度): 0.996 g/mL · 0.996 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.560
闪点: 136 °C · 136 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 5.46 · 5.46±0.20(Predicted)
外見: liquid
色: Orange
水溶解度: 混和しないか、水に混ざりにくい。
BRN: 2209864 · 2209864
InChI: InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKey: TXTHKGMZDDTZFD-UHFFFAOYSA-N
SMILES: C1(NC2CCCCC2)=CC=CC=C1
CAS データベース: 1821 · 1821-36-9(CAS DataBase Reference)
EPAの化学物質情報: N-Cyclohexylaniline (1821-36-9)

化学的性質

化学的特性dark brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (74.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 177 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzenamine, N-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.4%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29214900
risk_code: 20/21/22
hazard_code: Xn
safety_code: 23-36/37
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Irrit. 2STOT SE 3
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, N-cyclohexyl-: ACTIVE

応用分野

使用N-Cyclohexylaniline has been used as reagent in palladium-catalyzed amination of aromatic bromides. It is also used to produce N-cyclohexyl-N-phenyl-urea at ambient temperature.