CAS 61798-24-1 1-N,2-N-dimethylcyclohexane-1,2-diamine (HCID 551074)

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Basic information

CAS: 61798-24-1
Standard SMILES: CNC1CCCCC1NC
InChIKey: JRHPOFJADXHYBR-UHFFFAOYSA-N
Molecular formula: C8H18N2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: 1-N,2-N-dimethylcyclohexane-1,2-diamine
IUPAC: 1-N,2-N-dimethylcyclohexane-1,2-diamine
English name: N,N'-Dimethyl-1,2-cyclohexanediamine
Molecular formula: C8H18N2
Molecular weight: 142.24

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 24.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 81.3

Physicochemical properties

Boiling point: 78 · 78-80 °C18 mm Hg(lit.)
Density: 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.472(lit.)
Flash point: 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)
form: liquid
color: Colourlessto light yellow
optical activity: 0.48 ° · 0.48° (C=0.66 g/100ml,CHCL3)
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 DataBase Reference: 61798 · 61798-24-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

Safety data

wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29213099
risk_code: 22-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅱ
Hazard statements: H317-H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications

UsesN,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.