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89176-65-8 | 2,4-Quinazolinediamine, 6-[1-(phenylmethyl)hydrazino]-, monoacetate
CAS No: 89176-65-8 Catalog No: AG003W9Z MDL No:
Product Description
Catalog Number:
AG003W9Z
Chemical Name:
2,4-Quinazolinediamine, 6-[1-(phenylmethyl)hydrazino]-, monoacetate
CAS Number:
89176-65-8
Molecular Formula:
C17H20N6O2
Molecular Weight:
340.3797
IUPAC Name:
acetic acid;6-[amino(benzyl)amino]quinazoline-2,4-diamine
InChI:
InChI=1S/C15H16N6.C2H4O2/c16-14-12-8-11(6-7-13(12)19-15(17)20-14)21(18)9-10-4-2-1-3-5-10;1-2(3)4/h1-8H,9,18H2,(H4,16,17,19,20);1H3,(H,3,4)
InChI Key:
WWNQWVMQMXEKRA-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)ccc(c2)N(Cc1ccccc1)N.CC(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.165g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.387g/mol
Monoisotopic Mass:
340.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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