2,6-Diamino-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One - CAS 1001242-71-2

Name: 2,6-Diamino-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB044426
Product Name:	2,6-Diamino-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
CAS:	1001242-71-2
Synonyms:	2,6-Diamino-3H-imidazo[4,5-g]quinazolin-8(7H)-one; 8H-Imidazo[4,5-g]quinazolin-8-one, 2,6-diamino-3,7-dihydro-; 2-Amino-lin-Benzogunaine; 1,2-[4(3H)-Oxo-2-aminoquinazoline-6,7-diyl]guanidine; 2,6-diamino-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

Technical Data

IUPAC Name:	2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Description:	2,6-Diamino-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One (CAS# 1001242-71-2 ) is a useful research chemical.
Molecular Weight:	216.20
Molecular Formula:	C9H8N6O
Canonical SMILES:	C1=C2C(=CC3=C1NC(=N3)N)N=C(NC2=O)N
InChI:	InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)
InChI Key:	WFECBOHPSURSGU-UHFFFAOYSA-N
Boiling Point:	629.3±65.0 °C (Predicted)
Melting Point:	>290 °C (dec.)
Purity:	98 %
Density:	2.12±0.1 g/cm³ (Predicted)

Complexity:	356
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0759589
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	216.0759589
Rotatable Bond Count:	0
Topological Polar Surface Area:	122
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7