Methyleneaminoacetonitrile trimer

2-[3,5-bis(cyanomethyl)-1,3,5-triazinan-1-yl]acetonitrile

CAS: 4560-87-6

Molecular Formula	`C9H12N6`
Molecular Weight	204.23 g/mol
LogP	-0.2
Topological Polar Surface Area	81.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	204.11235
Heavy Atoms	15
Complexity	279.0

Chemical Identifiers

CAS Number	4560-87-6
SMILES	`C1N(CN(CN1CC#N)CC#N)CC#N`
InChIKey	`CTTRIWVSECLRDA-UHFFFAOYSA-N`

📖 Product Overview

Methyleneaminoacetonitrile trimer (CAS: 4560-87-6) is a chemical compound with molecular formula C9H12N6 and molecular weight 204.23 g/mol. Its IUPAC systematic name is 2-[3,5-bis(cyanomethyl)-1,3,5-triazinan-1-yl]acetonitrile. LogP -0.2 Topological Polar Surface Area 81.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 204.11235 Heavy Atoms 15 Complexity 279.0 InChI Key: CTTRIWVSECLRDA-UHFFFAOYSA-N. SMILES: C1N(CN(CN1CC#N)CC#N)CC#N.

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