(1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine

Base Information

• Chemical Name: (1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
• CAS No.: 767291-67-8
• Molecular Formula: C20H42N2
• Molecular Weight: 310.56
• Hs Code.: 2921300090
• European Community (EC) Number: 679-850-5
• DSSTox Substance ID: DTXSID80464540
• Nikkaji Number: J2.596.631G
• Wikidata: Q72445181
• Mol file: 767291-67-8.mol

Synonyms:767291-67-8;(1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;(1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethylcyclohexane-1,2-diamine;(1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethyl-1,2-diaminocyclohexane;MFCD11869717;(1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine;C20H42N2;SCHEMBL2805822;DTXSID80464540;AKOS015841829;AKOS015894997;CS-W009428;AM20120650;D3809;T71319;A865427;(1S,2S)-N~1~,N~2~-Bis(3,3-dimethylbutyl)-N~1~,N~2~-dimethylcyclohexane-1,2-diamine;(1S,2S)-N1,N2-Bis(3,3-dimethyl butyl)-N1,N2-dimethyl-1,2-diaminocyclohexane;(1S,2S)-N1,N2-bis(3,3-dimethylbutyl)-N1,N2-dimethyl-cyclohexane-1,2-diamine

Chemical Property of (1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine

Chemical Property:

• Refractive Index: 1.4640-1.4680
• Boiling Point: 145°C/5mmHg(lit.)
• PKA: 9.86±0.40(Predicted)
• Flash Point: 143.2oC
• PSA: 6.48000
• Density: 0.87±0.1 g/cm3(Predicted)
• LogP: 5.03360
• Storage Temp.: Room temperature.
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 310.334799348
• Heavy Atom Count: 22
• Complexity: 279

Purity/Quality:

98% ^*data from raw suppliers

(1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethyl-1,2-diaminocyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CCN(C)C1CCCCC1N(C)CCC(C)(C)C
• Isomeric SMILES: CC(C)(C)CCN(C)[C@H]1CCCC[C@@H]1N(C)CCC(C)(C)C