HEPTANONITRILE, 7-(3-METHYL-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DEC-8-YL)-

7-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)heptanenitrile

CAS: 101913-95-5

Molecular Formula	`C21H30N4O`
Molecular Weight	354.5 g/mol
LogP	3.1
Topological Polar Surface Area	50.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	354.24197
Heavy Atoms	26
Complexity	511.0

Chemical Identifiers

CAS Number	101913-95-5
SMILES	`CN1CN(C2(C1=O)CCN(CC2)CCCCCCC#N)C3=CC=CC=C3`
InChIKey	`GDFRSJQALJTCDV-UHFFFAOYSA-N`

📖 Product Overview

HEPTANONITRILE, 7-(3-METHYL-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DEC-8-YL)- (CAS: 101913-95-5) is a chemical compound with molecular formula C21H30N4O and molecular weight 354.5 g/mol. Its IUPAC systematic name is 7-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)heptanenitrile. LogP 3.1 Topological Polar Surface Area 50.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 354.24197 Heavy Atoms 26 Complexity 511.0 InChI Key: GDFRSJQALJTCDV-UHFFFAOYSA-N. SMILES: CN1CN(C2(C1=O)CCN(CC2)CCCCCCC#N)C3=CC=CC=C3.

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