4-(morpholin-4-ylmethyl)benzonitrile

4-(morpholin-4-ylmethyl)benzonitrile

CAS: 37812-51-4

Formula: C12H14N2O

SMILES: N#CC1=CC=C(CN2CCOCC2)C=C1

IUPAC: 4-[(morpholin-4-yl)methyl]benzonitrile

InChI: InChI=1S/C12H14N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2

Composition: C (71.26%), H (6.98%), N (13.85%), O (7.91%)

Molar Mass: 202.257

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.110613079
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BCZLYNFDOJXWGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.4
Topological Polar Surface Area	36.26
Polarizability	22.85
Ring Count	2
Rotatable Bond Count	2

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