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2-[(methylamino)methyl]benzonitrile

2-[(methylamino)methyl]benzonitrile

CAS: 860751-77-5

Formula: C9H10N2

SMILES: CNCC1=CC=CC=C1C#N

IUPAC: 2-[(methylamino)methyl]benzonitrile

InChI: InChI=1S/C9H10N2/c1-11-7-9-5-3-2-4-8(9)6-10/h2-5,11H,7H2,1H3

Composition: C (73.94%), H (6.89%), N (19.16%)

Molar Mass: 146.193

Atom Count: 21

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 146.08439833
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PUBJPAYRYCHLHO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.03
Topological Polar Surface Area 35.82
Polarizability 17.39
Ring Count 1
Rotatable Bond Count 2

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