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4-(1-aminoethyl)pyridine-2-carbonitrile dihydrochloride

4-(1-aminoethyl)pyridine-2-carbonitrile dihydrochloride

Formula: C8H11Cl2N3

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

IUPAC: 4-(1-aminoethyl)pyridine-2-carbonitrile dihydrochloride

InChI: InChI=1/C8H9N3.2ClH/c1-6(10)7-2-3-11-8(4-7)5-9;;/h2-4,6H,10H2,1H3;2*1H

Composition: C (43.66%), H (5.04%), Cl (32.21%), N (19.09%)

Molar Mass: 220.1

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 219.0330028
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PLMHWKCJMSDJJG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.14
Topological Polar Surface Area 62.7
Polarizability 16.47
Ring Count 1
Rotatable Bond Count 1

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98% <10 Days C8H11Cl2N3 Quote Only
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