3-amino-3-(3-methoxyphenyl)propanenitrile hydrochloride

3-amino-3-(3-methoxyphenyl)propanenitrile hydrochloride

CAS: 1956324-43-8

Formula: C10H13ClN2O

SMILES: Cl.COC1=CC(=CC=C1)C(N)CC#N

IUPAC: 3-amino-3-(3-methoxyphenyl)propanenitrile hydrochloride

InChI: InChI=1/C10H12N2O.ClH/c1-13-9-4-2-3-8(7-9)10(12)5-6-11;/h2-4,7,10H,5,12H2,1H3;1H

Composition: C (56.48%), H (6.16%), Cl (16.67%), N (13.17%), O (7.52%)

Molar Mass: 212.68

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	212.0716407
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UDHBQMQFOCYPHS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.43
Topological Polar Surface Area	59.04
Polarizability	19.73
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1956324-43-8		$133.67-$234.55$133.67$234.55