CAS 4442-85-7 2-Cyclohexylethylamine (HCID 20509)

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Grundinformationen

CAS: 4442-85-7
Standard-SMILES: NCCC1CCCCC1
InChIKey: HFACYWDPMNWMIW-UHFFFAOYSA-N
Summenformel: C8H17N
Durchschnittliche Molmasse: 127,23 g/mol
Monoisotopische Masse: 127,13609954

Überblick

2-Cyclohexylethanamine has been reported in Vachellia rigidula with data available.

Namen und Bezeichner

Bevorzugter Name: 2-Cyclohexylethylamine
IUPAC: 2-cyclohexylethanamine
Lokaler Name: 2-Cyclohexylethylamin
Englischer Name: 2-Cyclohexyl-ethylamine hydrochloride
Summenformel: C8H17N
Molmasse: 127.23

Namen und Synonyme

2-cyclohexylethanamine2-CyclohexylethylamineCyclohexaneethanamine2-Cyclohexyl-ethylamineCyclohexaneethylamine2-AminoethylcyclohexaneETHYLAMINE, 2-CYCLOHEXYL-NSC 59005WIN 5522-2Cyclohexaneethanamine (9CI)EINECS 224-673-7NSC 44879

Weitere Namen anzeigen

2-cyclohexylethan-1-amineAmbal3308Win-5522-2AKOS BC-1169ASISCHEM Z95313RARECHEM AN KA 0004

BRN 26891154-12-00-00133 (Beilstein Handbook Reference)Cyclohexaneethylamine (8CI)DTXSID60196170RefChem:86628DTXCID70118661224-673-74442-85-7

Datenbank-Bezeichner

CAS: 4442-85-7
PubChem CID: 20509
DTXSID: DTXSID60196170
ChEMBL: CHEMBL19428
UNII: XWL8YSK9QV
EC Number

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 65

Physikochemische Eigenschaften

Schmelzpunkt: -15 °C · -15°C (estimate)
Siedepunkt: 96 °C/40mmHg · 96°C/40mmHg(lit.)
Dichte: 0.8455 · 0.8455 (estimate)
Brechungsindex: 1.463 · 1.4630-1.4670
Flammpunkt: 51 °C · 51 °C
storage temp.: 2 · 2-8°C, protect from light
pka: 10 · 10+-.0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 0.87 · 0.87
InChI: InChI=1S/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2
InChIKey: HFACYWDPMNWMIW-UHFFFAOYSA-N
SMILES: C1(CCN)CCCCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (14.3%): 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+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (14.3%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN2735
hs_code: 2921.30.5000
RTECS-Nr.: KR3325000
risk_code: 22-52-36
hazard_code: Xn
safety_code: 26
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2

Chemie und Industrie

Anwendungen

VerwendenIn the resolution system of (RS)-1-cyclohexylethylamine (CHEA) with (S)-mandelic acid (MA), the DCR (dielectrically controlled resolution) phenomenon was clearly observed.