CAS 210051-59-5 | 1,2-Benzenedicarboximidamide | CAS Number 210051-59-5

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210051-59-5 | 1,2-Benzenedicarboximidamide

CAS No: 210051-59-5 Catalog No: AG002KKB MDL No:

Product Description

Catalog Number:

AG002KKB

Chemical Name:

1,2-Benzenedicarboximidamide

CAS Number:

210051-59-5

Molecular Formula:

C8H10N4

Molecular Weight:

162.1918

IUPAC Name:

benzene-1,2-dicarboximidamide

InChI:

InChI=1S/C8H10N4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H3,9,10)(H3,11,12)

InChI Key:

CZMCQHMXUGVADN-UHFFFAOYSA-N

SMILES:

NC(=N)c1ccccc1C(=N)N

Properties

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.196g/mol

Monoisotopic Mass:

162.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.6

Literature

Title	Journal
Heterocyclic dications as a new class of telomeric G-quadruplex targeting agents.	Current pharmaceutical design 20120101
Thiophene-based diamidine forms a 'super' at binding minor groove agent.	Journal of the American Chemical Society 20041027