2-メチルシクロヘキシルアミン

2-Methylcyclohexylamine

HCID 23432CAS 7003-32-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1CCCCC1N
InChIKey: FEUISMYEFPANSS-UHFFFAOYSA-N
分子式: C7H15N
平均分子量: 113.2 g/mol
単同位体質量: 113.12044948

名称と識別子

優先名称: 2-Methylcyclohexylamine
IUPAC: 2-methylcyclohexan-1-amine
現地名: 2-メチルシクロヘキシルアミン
英語名: 2-Methylcyclohexylamine
分子式: C7H15N
分子量: 113.2

名称と別名

2-METHYLCYCLOHEXYLAMINE7003-32-9Cyclohexanamine, 2-methyl-2-Methylcyclohexanamineo-MethylcyclohexylamineCyclohexylamine, 2-methyl-UNII-YBG36S1N5J2-Methylcyclohexylamine,c&t1-Amino-2-methylcyclohexaneEINECS 230-277-5NSC 27455YBG36S1N5J

名称をさらに表示

2-メチルシクロヘキシルアミン2-メチルシクロヘキシルアミン (cis-, trans-混合物)1-アミノ-2-メチルシクロヘキサン (cis-, trans-混合物)2-MCHAAKOS BB-88212-MethylcyclohexylamHEXAHYDRO-O-TOLUIDINE2-methyl-cyclohexanamin

DTXSID20884349NSC-27455RefChem:88296DTXCID20835235230-277-5FEUISMYEFPANSS-UHFFFAOYSA-N2-methylcyclohexan-1-amineMFCD00001492

データベース識別子

CAS: 7003-32-9
PubChem CID: 23432
DTXSID: DTXSID20884349
EC Number: 230-277-5
Nikkaji: J86.568K

物性

構造計算による物性

XLogP: 1.6
極性表面積: 26 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: 0
重原子数: 8
形式電荷: 0
複雑度: 70.8

物理化学的性質

融点: -8.5 °C · -8.5°C (estimate)
沸点: 149 · 149-150 °C(lit.)
比重(密度): 0.859 g/mL · 0.859 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.457
闪点: 71 °F · 71 °F
貯蔵温度: Flammables area
酸解離定数(Pka): 10.72 · 10.72±0.70(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: わずかに溶ける
BRN: 2689073 · 2689073
InChI: 1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3
InChIKey: FEUISMYEFPANSS-UHFFFAOYSA-N
SMILES: CC1CCCCC1N
CAS データベース: 7003 · 7003-32-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Methylcyclohexylamine(7003-32-9)
EPAの化学物質情報: 2 · Cyclohexanamine, 2-methyl- (7003-32-9)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (96.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 172 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

Hazard Classes and CategoriesFlam. Liq. 3 (96.5%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
hs_code: 29213000
risk_code: 10-34-37-35-20/21/22-11-22
化審法: (3)-3249, (9)-2279
消防法: 危-4-2-III
hazard_code: C,F
safety_code: 16-26-36/37/39-45-28A
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationCyclohexanamine, 2-methyl-: ACTIVE

応用分野

使用2-Methylcyclohexylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

一般的な説明Mechanism of hydrodenitrogenation of 2-methylcyclohexylamine has been studied over sulfided NiMo/Al2O3. 2-Methylcyclohexylamine is the intermediate formed during hydrodenitrogenation of toluidine.