2-(4-benzylmorpholin-2-yl)acetonitrile

2-(4-benzylmorpholin-2-yl)acetonitrile

CAS: 57962-45-5

Formula: C13H16N2O

SMILES: N#CCC1CN(CC2=CC=CC=C2)CCO1

IUPAC: 2-(4-benzylmorpholin-2-yl)acetonitrile

InChI: InChI=1/C13H16N2O/c14-7-6-13-11-15(8-9-16-13)10-12-4-2-1-3-5-12/h1-5,13H,6,8-11H2

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	216.126263143
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IMCDTSZTCIFXNN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.11
Topological Polar Surface Area	36.26
Polarizability	24.55
Ring Count	2
Rotatable Bond Count	3

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