CAS 17430-98-7 (S)-(+)-1-Cyclohexylethylamine (HCID 5325951)

名称と識別子

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

名称と別名

17430-98-7(S)-(+)-1-CyclohexylethylamineRefChem:407587629-006-7(S)-1-Cyclohexylethanamine(1S)-1-cyclohexylethanamine(s)-1-cyclohexylethan-1-amine(1S)-1-Cyclohexylethan-1-Amine(S)-1-cyclohexylethylamineMFCD00066261Cyclohexanemethanamine, alpha-methyl-, (alphaS)-CHEMBL19424

名称をさらに表示

(S)-(+)-1-シクロヘキシルエチルアミン(1S)-1-シクロヘキシルエタンアミン(S)-1-シクロヘキシルエチルアミン(S)-1-シクロヘキシルエタンアミン[(S)-1-シクロヘキシルエチル]アミン(S)-α-メチルシクロヘキサンメタンアミン(αS)-α-メチルシクロヘキサンメタンアミン[S,(+)]-α-メチルシクロヘキサンメタンアミン(S)-(+)-(1-アミノエチル)シクロヘキサン(S)-1-シクロヘキスイルエタンアミン1-Cyclohexylethanamine(S)-(+)-1-CYCLOHEXYETHYLAMINE(S)-(+)-1-AMINOETHYLCYCLOHEXANE(S)-(+)-1-CYCLOHEXYLETHYLAMINE 98%(S)-α-Methylcyclohexanemethanamine

(1S)-1-(cyclohexyl)ethylamineN-((S)-1-cyclohexyl-ethyl)amineBDBM50028637AKOS015840729AS-41203CS-0136578EN300-1126501-Cyclohexyl-ethylamine

データベース識別子

CAS: 17430-98-7
PubChem CID: 5325951
DTXSID: DTXSID40938494
ChEMBL: CHEMBL19424
EC Number: 629-006-7
Nikkaji: J58.885G

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

物理化学的性質

融点: -15 °C · -15°C (estimate)
沸点: 60 °C/12 · 60 °C/12 mmHg (lit.)
比旋光度: 3.5 · 3.5 º (NEAT)
比重(密度): 0.856 g/mL · 0.856 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4614(lit.)
闪点: 126 °F · 126 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
酸解離定数(Pka): 10.89 · 10.89±0.29(Predicted)
BRN: 2935069 · 2935069
InChI: 1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1
InChIKey: XBWOPGDJMAJJDG-ZETCQYMHSA-N
SMILES: C[C@H](N)C1CCCCC1
CAS データベース: 17430 · 17430-98-7(CAS DataBase Reference)
NISTの化学物質情報: -1 · (S)-(+)-1-Cyclohexylethylamine(17430-98-7)

化学的性質

化学的特性optical purity >99% ee

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (69.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (69.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (70.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (26.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P262, 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, P361+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 5 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 CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (69.8%)；Acute Tox. 3 (69.8%)；Skin Corr. 1B (100%)；Eye Dam. 1 (70.5%)；Aquatic Chronic 2 (26.8%)