Free Chemical Databases
-
[Synonyms]
Azido-san-548A
4-(11-Azidoundecyl-2-amino)quinazoline
N-(10-Azido-1-methyldecyl)-4-quinazolinamine
173219-32-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 340.46582 [g/mol] Molecular Formula C19H28N6 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 12 Tautomer Count 6 Exact Mass 340.237545 MonoIsotopic Mass 340.237545 Topological Polar Surface Area 66.2 Heavy Atom Count 25 Formal Charge 0 Complexity 395 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-(11-azidoundecyl)quinazolin-2-amine
Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)N)CCCCCCCCCCCN=[N+]=[N-]
InChI: InChI=1/C19H28N6/c20-19-23-17(16-12-9-10-14-18(16)24-19)13-8-6-4-2-1-3-
5-7-11-15-22-25-21/h9-10,12,14H,1-8,11,13,15H2,(H2,20,23,24)/f/h20H2
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