8-amino-1,2,3,5,6,7-hexahydro-s-indacene-4-carbonitrile

8-amino-1,2,3,5,6,7-hexahydro-s-indacene-4-carbonitrile

Formula: C13H14N2

SMILES: NC1=C2CCCC2=C(C#N)C2=C1CCC2

IUPAC: 8-amino-1,2,3,5,6,7-hexahydro-s-indacene-4-carbonitrile

InChI: InChI=1S/C13H14N2/c14-7-12-8-3-1-5-10(8)13(15)11-6-2-4-9(11)12/h1-6,15H2

Composition: C (78.75%), H (7.12%), N (14.13%)

Molar Mass: 198.269

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.115698459
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LEIOWNWZFAWDKL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.24
Topological Polar Surface Area	49.81
Polarizability	22.58
Ring Count	3
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H14N2		Quote Only