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18917-68-5 | 6-Quinazolinecarbonitrile, 2,4-diamino-
CAS No: 18917-68-5 Catalog No: AG002HZV MDL No:
Product Description
Catalog Number:
AG002HZV
Chemical Name:
6-Quinazolinecarbonitrile, 2,4-diamino-
CAS Number:
18917-68-5
Molecular Formula:
C9H7N5
Molecular Weight:
185.1854
IUPAC Name:
2,4-diaminoquinazoline-6-carbonitrile
InChI:
InChI=1S/C9H7N5/c10-4-5-1-2-7-6(3-5)8(11)14-9(12)13-7/h1-3H,(H4,11,12,13,14)
InChI Key:
FGNJZOQLZLEBME-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(N)nc(n2)N
NSC Number:
136516
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.19g/mol
Monoisotopic Mass:
185.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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