(1S,2S)-N1,N2-Bis(3,3-dimethylbutyl)-N1,N2-dimethylcyclohexane-1,2-diamine

Catalog Number	ACM767291678-1
CAS	767291-67-8
Structure
Synonyms	(1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
IUPAC Name	(1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
Molecular Weight	310.56
Molecular Formula	C20H42N2
Canonical SMILES	CC(C)(C)CCN(C)C1CCCCC1N(C)CCC(C)(C)C
InChI	VGCWVKVNKNXOGZ-ROUUACIJSA-N
InChI Key	InChI=1S/C20H42N2/c1-19(2,3)13-15-21(7)17-11-9-10-12-18(17)22(8)16-14-20(4,5)6/h17-18H,9-16H2,1-8H3/t17-,18-/m0/s1
Boiling Point	145 °C at 5 mmHg-lit.
Purity	97%
Exact Mass	310.334799348
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(C)(C)CCN(C)[C@H]1CCCC[C@@H]1N(C)CCC(C)(C)C
Monoisotopic Mass	310.334799348
Rotatable Bond Count	8
Topological Polar Surface Area	6.5 Ų