CAS 5913-13-3 (-)-1-Cyclohexylethylamine (HCID 10997046)

基本情報

CAS: 5913-13-3
標準SMILES: C[C@@H](N)C1CCCCC1
InChIKey: XBWOPGDJMAJJDG-SSDOTTSWSA-N
分子式: C8H17N
平均分子量: 127.23 g/mol
単同位体質量: 127.13609955

名称と識別子

優先名称: (-)-1-Cyclohexylethylamine
IUPAC: (1R)-1-cyclohexylethanamine
現地名: (R)-(-)-1-シクロヘキシルエチルアミン
英語名: (R)-(-)-1-Cyclohexylethylamine
分子式: C8H17N
分子量: 127.23

名称と別名

(-)-1-cyclohexylethylamineRefChem:3909105913-13-3(R)-(-)-1-Cyclohexylethylamine(1R)-1-cyclohexylethanamine(R)-1-cyclohexylethylamine(r)-1-cyclohexylethan-1-amine(R)-1-CyclohexylethanamineMFCD00043338(1R)-1-cyclohexylethan-1-amineR-(-)-Cyclohexylethylamine(1R)-1-cyclohexylethylamine

名称をさらに表示

(R)-(-)-1-シクロヘキシルエチルアミン(R)-α-メチルシクロヘキサンメタンアミン[(1R)-1-シクロヘキシルエチル]アミン(1R)-1-シクロヘキシルエタンアミン(R)-1-シクロヘキシルエタンアミン(R)-1-シクロヘキシルエチルアミン[(R)-1-シクロヘキシルエチル]アミン(αR)-α-メチルシクロヘキサンメタンアミン[R,(-)]-α-メチルシクロヘキサンメタンアミン(R)-(-)-(1-アミノエチル)シクロヘキサン(R)-1-シクロヘキスイルエタンアミン(1R)-1-シクロヘキシルエタン-1-アミンR(-)-ALPHA-METHYLCYCLOHEXANEMETHYLAMINE[(1R)-1-Cyclohexylethyl]amine(R)-alpha-cyclohexanemethylamine(R)-(-)-(1-Aminoethyl)cyclohexane(R)-(-)-1-CYCLOHEXYLETHYLAMINE 98%

(R)-1-cyclohexyl-ethylamineCHEMBL19290EN300-98887Cyclohexanemethanamine, alpha-methyl-, (alphaR)-(R)-(-)-1-Cyclohexylethylamine, purum, >=98.0% (sum of enantiomers, GC)1-Cyclohexyl-ethylamine1-Cyclohexylethanamine #(R)-(?)-|A-Methylcyclohexanemethylamine

データベース識別子

CAS: 5913-13-3
PubChem CID: 10997046
DTXSID: DTXSID801367550
ChEMBL: CHEMBL19290
EC Number: 227-634-2
Nikkaji: J58.886E

物性

構造計算による物性

XLogP: 2.1
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: 1
重原子数: 9
形式電荷: 0
複雑度: 74.6

物理化学的性質

融点: -15 °C · -15°C (estimate)
比旋光度: -3.8 · -3.8 º (NEAT)
沸点: 177 · 177-178 °C (lit.)
比重(密度): 0.866 g/mL · 0.866 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.463
闪点: 126 °F · 126 °F
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 10.89 · 10.89±0.29(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: アセトン、クロロホルム、ジメチルスルホキシド、エタノール、メタノール、エーテル、石油エーテル、ジクロロメタンと混和します。水に溶けません。
BRN: 2935070 · 2935070
InChI: 1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1
InChIKey: XBWOPGDJMAJJDG-SSDOTTSWSA-N
SMILES: C[C@@H](N)C1CCCCC1
CAS データベース: 5913 · 5913-13-3(CAS DataBase Reference)
NISTの化学物質情報: R-(-)-Cyclohexylethylamine(5913-13-3)

化学的性質

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 4 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 (100%)

安全データ

F: 3-10-23
wgk: 3
ridadr: UN 2734 8/PG 2
hs_code: 2921309990
risk_code: 10-21/22-34
消防法: 危-4-2-III
hazard_code: C
safety_code: 26-36/37/39-45
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

応用分野 · 2 件

使用(R)-(-)-1-Cyclohexylethylamine is used in the preparation of benzylidene(1-cyclohexylethyl)amine by reacting with benzaldehyde. It is also used to prepare chiral polymethacrylamides, which are employed as stationary phases for the liquid-chromatographic resolution of racemic amides. In addition to this, it is used in the preparation of polyamides bound to silica gel for high performance liquid chromatography, which are pressure-stable.

一般的な説明(R)-(-)-1-Cyclohexylethylamine is a chiral amine mainly used as a resolving agent for racemic compounds.

調製方法 · 1 件

純化方法Purify it by conversion to the bitartrate salt (m 172o), then decomposing with strong alkali and extracting into Et2O, drying (KOH), filtering, evaporating and distilling. The hydrochloride salt has m 242o (from EtOH/Et2O), [] D -5.0o (c 10 H2O, from (+) amine). The oxalate salt has m 132o (from H2O). The (±)-base has b 176-178o/760mm, and HCl has m 237-238o. [Reihlen et al. Justus Liebigs Ann Chem 532 247 1938, Leithe Chem Ber 65 660 1932, Beilstein 12 III 95.]