1-N,2-N-dimethylcyclohexane-1,2-diamine

HCID 551074CAS 61798-24-1

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Grundinformationen

Standard-SMILES: CNC1CCCCC1NC
InChIKey: JRHPOFJADXHYBR-UHFFFAOYSA-N
Summenformel: C8H18N2
Durchschnittliche Molmasse: 142,24 g/mol
Monoisotopische Masse: 142,14699858

Namen und Bezeichner

Bevorzugter Name: 1-N,2-N-dimethylcyclohexane-1,2-diamine
IUPAC: 1-N,2-N-dimethylcyclohexane-1,2-diamine
Englischer Name: N,N'-Dimethyl-1,2-cyclohexanediamine
Summenformel: C8H18N2
Molmasse: 142.24

Namen und Synonyme

1-N,2-N-dimethylcyclohexane-1,2-diamineRefChem:434700629-408-261798-24-1N1,N2-Dimethylcyclohexane-1,2-diamineN,N'-Dimethyl-1,2-cyclohexanediamineN,N'-Dimethylcyclohexane-1,2-diamineMFCD05664382N,N'-Dimethyl-cyclohexane-1,2-diamine1,2-dimethylaminocyclohexane1,2-bis(methylamino)cyclohexaneGS-3699

Weitere Namen anzeigen

N1,N2-Dimethyl-1,2-cyclohexanediamineohexanediamineN,N'-Dimethyl-1,2-diaminocyclohexane-1,2-cycLN,N'-dimethyl-1,2-cyclohexyldiamineN,N’-Dimethyl-cyclohexane-1,2-olamine1,2-Cyclohexanediamine, N1,N2-dimethyl-

N,N inverted exclamation mark -Dimethyl-1,2-cyclohexanediamine(1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine1808263-71-91,2-Cyclohexanediamine, N,N'-dimethyl-Cis-N,N-dimethyl-1,2-cyclohexanediamineN~1~,N~2~-Dimethylcyclohexane-1,2-diamine(1R,2S)-N1,N2-Dimethyl-1,2-cyclohexanediamineSCHEMBL145251

Datenbank-Bezeichner

CAS: 61798-24-1
PubChem CID: 551074
DTXSID: DTXSID60338775
EC Number: 629-408-2
Nikkaji: J2.276.807G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 81,3

Physikochemische Eigenschaften

Siedepunkt: 78 · 78-80 °C18 mm Hg(lit.)
Dichte: 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.472(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 11.04 · 11.04±0.40(Predicted)
Aggregatzustand: liquid
Farbe: Colourlessto light yellow
InChI: InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3
InChIKey: JRHPOFJADXHYBR-UHFFFAOYSA-N
SMILES: C1(NC)CCCCC1NC
CAS Datenbank: 61798 · 61798-24-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29213099
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅱ

Chemie und Industrie

Anwendungen

VerwendenN,N''-Dimethyl-1,2-cyclohexanediamine is used as a catalyst in the synthesis of substituted pyrazoles with anti-inflammatory activity. As well as highly functional pyridines and bipyridines.