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113494-57-8 | 2,4-Quinazolinediamine, 6-azido-
CAS No: 113494-57-8 Catalog No: AG0008RR MDL No:
Product Description
Catalog Number:
AG0008RR
Chemical Name:
2,4-Quinazolinediamine, 6-azido-
CAS Number:
113494-57-8
Molecular Formula:
C8H7N7
Molecular Weight:
201.1881
IUPAC Name:
6-azidoquinazoline-2,4-diamine
InChI:
InChI=1S/C8H7N7/c9-7-5-3-4(14-15-11)1-2-6(5)12-8(10)13-7/h1-3H,(H4,9,10,12,13)
InChI Key:
DGWQDPLZGIMZQD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc2c(c1)c(N)nc(n2)N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.193g/mol
Monoisotopic Mass:
201.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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