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2515-30-2 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(4-methylphenyl)-
CAS No: 2515-30-2 Catalog No: AG002QNF MDL No:
Product Description
Catalog Number:
AG002QNF
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(4-methylphenyl)-
CAS Number:
2515-30-2
Molecular Formula:
C17H16ClN5
Molecular Weight:
325.7954
IUPAC Name:
6-chloro-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C17H16ClN5/c1-11-3-7-13(8-4-11)19-16-21-15(18)22-17(23-16)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChI Key:
QNBNEVDEANWKFB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1nc(Nc2ccc(cc2)C)nc(n1)Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.8g/mol
Monoisotopic Mass:
325.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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