2-[(1S)-1-amino-2-methylpropyl]benzonitrile hydrochloride

2-[(1S)-1-amino-2-methylpropyl]benzonitrile hydrochloride

CAS: 1391355-85-3

Formula: C11H15ClN2

SMILES: Cl.CC(C)[C@H](N)C1=CC=CC=C1C#N

IUPAC: 2-[(1S)-1-amino-2-methylpropyl]benzonitrile hydrochloride

InChI: InChI=1S/C11H14N2.ClH/c1-8(2)11(13)10-6-4-3-5-9(10)7-12;/h3-6,8,11H,13H2,1-2H3;1H/t11-;/m0./s1

Composition: C (62.70%), H (7.18%), Cl (16.82%), N (13.30%)

Molar Mass: 210.71

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	210.0923762
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AGBGNEZPRPQKEG-MERQFXBCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.67
Topological Polar Surface Area	49.81
Polarizability	21.08
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1391355-85-3		$332.90-$639.33$332.90$639.33