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102587-56-4 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(phenylmethyl)-
CAS No: 102587-56-4 Catalog No: AG0007UB MDL No:
Product Description
Catalog Number:
AG0007UB
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(phenylmethyl)-
CAS Number:
102587-56-4
Molecular Formula:
C12H14ClN5
Molecular Weight:
263.7261
IUPAC Name:
2-N-benzyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C12H14ClN5/c1-2-18(8-9-6-4-3-5-7-9)12-16-10(13)15-11(14)17-12/h3-7H,2,8H2,1H3,(H2,14,15,16,17)
InChI Key:
GMLMXPIQRGZABF-UHFFFAOYSA-N
SMILES:
CCNc1nc(NCc2ccccc2)nc(n1)Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.729g/mol
Monoisotopic Mass:
263.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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