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13953-73-6 | 2,4,6-Quinazolinetriamine, N6-[(2-chlorophenyl)methyl]-
CAS No: 13953-73-6 Catalog No: AG001B7R MDL No:
Product Description
Catalog Number:
AG001B7R
Chemical Name:
2,4,6-Quinazolinetriamine, N6-[(2-chlorophenyl)methyl]-
CAS Number:
13953-73-6
Molecular Formula:
C15H14ClN5
Molecular Weight:
299.7582
IUPAC Name:
6-N-[(2-chlorophenyl)methyl]quinazoline-2,4,6-triamine
InChI:
InChI=1S/C15H14ClN5/c16-12-4-2-1-3-9(12)8-19-10-5-6-13-11(7-10)14(17)21-15(18)20-13/h1-7,19H,8H2,(H4,17,18,20,21)
InChI Key:
WYMIFFJCHDHZJX-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)ccc(c2)NCc1ccccc1Cl
NSC Number:
80445
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.762g/mol
Monoisotopic Mass:
299.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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