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Reference substances

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General information

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Reference substance information

IUPAC name:
Isomers of 3,3'-({6-[(2-cyanoethyl)amino]-trimethylhexyl}azanediyl)dipropanenitrile

Molecular and structural information

Molecular formula:
C18H31N5
Molecular weight:
317.472
SMILES notation:
CC(CCNCCC#N)CC(C)(C)CN(CCC#N)CCC#N
CC(C)(CCNCCC#N)CC(C)CN(CCC#N)CCC#N
CC(C)(CNCCC#N)CC(C)CCN(CCC#N)CCC#N
CC(CNCCC#N)CC(C)(C)CCN(CCC#N)CCC#N
InChl:
InChI=1S/C18H31N5/c1-17(7-12-22-11-4-8-19)15-18(2,3)16-23(13-5-9-20)14-6-10-21/h17,22H,4-7,11-16H2,1-3H3
InChI=1S/C18H31N5/c1-17(16-23(13-5-9-20)14-6-10-21)15-18(2,3)7-12-22-11-4-8-19/h17,22H,4-7,11-16H2,1-3H3
InChI=1S/C18H31N5/c1-17(15-18(2,3)16-22-11-4-8-19)7-14-23(12-5-9-20)13-6-10-21/h17,22H,4-7,11-16H2,1-3H3
InChI=1S/C18H31N5/c1-17(16-22-11-4-8-19)15-18(2,3)7-14-23(12-5-9-20)13-6-10-21/h17,22H,4-7,11-16H2,1-3H3
Structural formula:
Chemical structure