4-amino-3-ethylbenzonitrile

4-amino-3-ethylbenzonitrile

CAS: 170230-87-2

Formula: C9H10N2

SMILES: CCC1=C(N)C=CC(=C1)C#N

IUPAC: 4-amino-3-ethylbenzonitrile

InChI: InChI=1S/C9H10N2/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5H,2,11H2,1H3

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	YOHLABDNVQLZIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.12
Topological Polar Surface Area	49.81
Polarizability	16.91
Ring Count	1
Rotatable Bond Count	1

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