4-aminoisoquinoline-1-carbonitrile

4-aminoisoquinoline-1-carbonitrile

CAS: 573758-69-7

Formula: C10H7N3

SMILES: NC1=CN=C(C#N)C2=CC=CC=C12

IUPAC: 4-aminoisoquinoline-1-carbonitrile

InChI: InChI=1S/C10H7N3/c11-5-10-8-4-2-1-3-7(8)9(12)6-13-10/h1-4,6H,12H2

Composition: C (70.99%), H (4.17%), N (24.84%)

Molar Mass: 169.187

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	169.063997237
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AILGQDQQFHALOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.4
Topological Polar Surface Area	62.7
Polarizability	19.95
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	573758-69-7		$221.94-$1,124.81$221.94$290.03$435.05$1,124.81