trans-N,N'-dimethyl-1,2-cyclohexanediamine

HCID 2733821CAS 67579-81-1

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Grundinformationen

Standard-SMILES: CN[C@@H]1CCCC[C@H]1NC
InChIKey: JRHPOFJADXHYBR-HTQZYQBOSA-N
Summenformel: C8H18N2
Durchschnittliche Molmasse: 142,24 g/mol
Monoisotopische Masse: 142,14699858

Namen und Bezeichner

Bevorzugter Name: trans-N,N'-dimethyl-1,2-cyclohexanediamine
IUPAC: trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
Englischer Name: Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine
Summenformel: C8H18N2
Molmasse: 142.24

Namen und Synonyme

67579-81-1trans-N,N'-Dimethyl-1,2-cyclohexanediamineRefChem:39320968737-65-5(1r,2r)-n,n'-dimethyl-1,2-cyclohexanediamine(1r,2r)-n1,n2-dimethylcyclohexane-1,2-diaminetrans-N1,N2-Dimethylcyclohexane-1,2-diaminetrans-N,N'-Dimethylcyclohexane-1,2-diamine(1R,2R)-(-)-N,N'-Dimethylcyclohexane-1,2-diaminetrans-(1R,2R)-N,N'-Bismethyl-1,2-cyclohexanediaminetrans-1,2-Bis(methylamino)cyclohexaneMFCD00671527

Weitere Namen anzeigen

t-DMACHtrans-N,NN,N-Dimethylcyclohexanediaminetrans-N,N'-DimethyLTRANS-N,N'-DIMETHYLCYCLOHEXANE

(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diaminetrans-(1R,2R)-N,N'-Bismethyl-1,2-cyclohexane diamine(R,R)-(-)-N,N'-Dimethyl-1,2-cyclohexanediamineTrans-N,N'-bismethyl-1,2-cyclohexanediamine(1R,2R)-(-)-1,2-Bis(methylamino)cyclohexane(1R,2R)-N,N'-dimethylcyclohexane-1,2-diamineN,N'-dimethyl-trans-1,2-cyclohexanediamine(1r,2r)-diaminomethylcyclohexane

Datenbank-Bezeichner

CAS: 67579-81-1、68737-65-5
PubChem CID: 2733821
DTXSID: DTXSID20986938
UNII: C6PF3WC3SS
EC Number: 614-082-6、626-704-3
Nikkaji: J596.263C

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

Schmelzpunkt: 4 °C · 4°C
Siedepunkt: 83 °C · 83 °C / 13mmHg
Dichte: 0.89 · 0.89
Brechungsindex: 20 · n20/D1.472(lit.)
Flammpunkt: 60 ℃ · 60℃
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: liquid
pka: 11.04 · 11.04±0.40(Predicted)
Farbe: colorless to pale yellow
InChI: InChI=1/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/s3
InChIKey: JRHPOFJADXHYBR-HTQZYQBOSA-N
SMILES: [C@@H]1(NC)CCCC[C@H]1NC |&1:0,7,r|
CAS Datenbank: 67579 · 67579-81-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 09-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23000

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (70.3%)

Acute Tox. 4 (93.8%)

Sicherheitsdaten

wgk: 3
ridadr: 2735
hs_code: 2921309990
risk_code: 36/37/38-34-22
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅱ
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungTrans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine is a useful research chemical for organic synthesis and other chemical processes.

Verwendentrans-N,N′-dimethylcyclohexane-1,2-diamine can be used as a ligand in the synthesis of the following products via copper catalyzed C-N coupling reactions:vinylsulfoximines obtained from NH sulfoximes and vinyl bromidesN-arylpyridones obtained via reaction between 2-substituted pyridines and aryl halidesN-aryl amines obtained via reaction between amines and aryl iodides/aryl bromides