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159382-23-7 | 4,6-Quinazolinediamine
CAS No: 159382-23-7 Catalog No: AG001QNF MDL No:
Product Description
Catalog Number:
AG001QNF
Chemical Name:
4,6-Quinazolinediamine
CAS Number:
159382-23-7
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
IUPAC Name:
quinazoline-4,6-diamine
InChI:
InChI=1S/C8H8N4/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H,9H2,(H2,10,11,12)
InChI Key:
RNWDENXDCQXZLH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(N)ncn2
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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