3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile

3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile

CAS: 1164541-77-8

Formula: C13H14Cl2N4

SMILES: NC(=CC#N)N1CCN(CC1)C1=CC(Cl)=C(Cl)C=C1

IUPAC: 3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile

InChI: InChI=1S/C13H14Cl2N4/c14-11-2-1-10(9-12(11)15)18-5-7-19(8-6-18)13(17)3-4-16/h1-3,9H,5-8,17H2

Composition: C (52.54%), H (4.75%), Cl (23.86%), N (18.85%)

Molar Mass: 297.18

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.0595519
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DWGJKFYZDBAFIJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.07
Topological Polar Surface Area	56.29
Polarizability	29.3
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1164541-77-8		$51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05