Cyclohexanmethylamin

Cyclohexanemethylamine

HCID 76688CAS 3218-02-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NCC1CCCCC1
InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
Summenformel: C7H15N
Durchschnittliche Molmasse: 113,2 g/mol
Monoisotopische Masse: 113,12044948

Namen und Bezeichner

Bevorzugter Name: Cyclohexanemethylamine
IUPAC: cyclohexylmethanamine
Lokaler Name: Cyclohexanmethylamin
Englischer Name: (Aminomethyl)cyclohexane
Summenformel: C7H15N
Molmasse: 113.2

Namen und Synonyme

CyclohexanemethylamineCyclohexylmethanamine3218-02-8Aminomethylcyclohexane(Aminomethyl)cyclohexaneCyclohexanemethanamineEINECS 221-741-8NSC 172991BRN 0635751DTXSID101859584-12-00-00123 (Beilstein Handbook Reference)RefChem:580596

Weitere Namen anzeigen

RARECHEM AL BW 0122HEXAHYDROBENZYLAMINE1-CyclohexanemethanamineCyclohexanemethylamine,98%

DTXCID50108449221-741-8cyclohexylmethanaminium1-Cyclohexylmethanamine1-cyclohexylmethylamineMFCD00001520C-Cyclohexyl-methylamineCHEMBL1049

Datenbank-Bezeichner

CAS: 3218-02-8
PubChem CID: 76688
DTXSID: DTXSID10185958
ChEMBL: CHEMBL1049
EC Number: 221-741-8
Nikkaji: J48.566G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 55,4

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt: -8 °C · -8°C
Siedepunkt: 159 · 159-161 °C (lit.)
Dichte: 0.87 g/mL · 0.87 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.462(lit.)
Flammpunkt: 110 °F · 110 °F
storage temp.: 2 · 2-8°C, protect from light
Aggregatzustand: Liquid
pka: 10.42 · 10.42±0.29(Predicted)
Farbe: Clear colorless to slightly yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 635751 · 635751
InChI: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
SMILES: C1(CN)CCCCC1
CAS Datenbank: 3218 · 3218-02-8(CAS DataBase Reference)
NIST chemische Informationen: 6 H11CH2NH2 · c-C6H11CH2NH2(3218-02-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2734 8/PG 2
hs_code: 29213099
RTECS-Nr.: GV6128000
risk_code: 10-34
hazard_code: C
safety_code: 16-26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclohexanemethylamine was used in the synthesis of Schiff′s base ligand, 4-methyl-2,6-bis(cyclohexylmethyliminomethyl)-phenol, which forms hexanuclear zinc(II) complexes. Cyclohexanemethylamine was used during the synthesis of 1-acyl-4 cycloalkyl/arylsemicarbazides and 1-acyl-5-benzyloxy/hydroxyl carbamoylcarbazides from the nonsteroidal anti-inflammatory drugs.