4-[(1S)-1-aminoethyl]benzonitrile

4-[(1S)-1-aminoethyl]benzonitrile

CAS: 36244-70-9

Formula: C9H10N2

SMILES: C[C@H](N)C1=CC=C(C=C1)C#N

IUPAC: 4-[(1S)-1-aminoethyl]benzonitrile

InChI: InChI=1S/C9H10N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,11H2,1H3/t7-/m0/s1

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	1
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	CANLULJYEHSQFU-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.67
Topological Polar Surface Area	49.81
Polarizability	17.38
Ring Count	1
Rotatable Bond Count	1

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