4-(aminomethyl)oxane-4-carbonitrile

4-(aminomethyl)oxane-4-carbonitrile

CAS: 1263374-32-8

Formula: C7H12N2O

SMILES: NCC1(CCOCC1)C#N

IUPAC: 4-(aminomethyl)oxane-4-carbonitrile

InChI: InChI=1S/C7H12N2O/c8-5-7(6-9)1-3-10-4-2-7/h1-5,8H2

Composition: C (59.98%), H (8.63%), N (19.98%), O (11.41%)

Molar Mass: 140.186

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	140.094963014
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WRAFVYHNHMNOCQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.31
Topological Polar Surface Area	59.04
Polarizability	14.96
Ring Count	1
Rotatable Bond Count	1

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