4-[(1R)-1-aminoethyl]benzonitrile hydrochloride

4-[(1R)-1-aminoethyl]benzonitrile hydrochloride

CAS: 911372-78-6

Formula: C9H11ClN2

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

IUPAC: 4-[(1R)-1-aminoethyl]benzonitrile hydrochloride

InChI: InChI=1S/C9H10N2.ClH/c1-7(11)9-4-2-8(6-10)3-5-9;/h2-5,7H,11H2,1H3;1H/t7-;/m1./s1

Composition: C (59.18%), H (6.07%), Cl (19.41%), N (15.34%)

Molar Mass: 182.65

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	182.0610761
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KZLPYAMQKGFHBF-OGFXRTJISA-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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