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102587-59-7 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(2-phenylethyl)-
CAS No: 102587-59-7 Catalog No: AG0007U9 MDL No:
Product Description
Catalog Number:
AG0007U9
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(2-phenylethyl)-
CAS Number:
102587-59-7
Molecular Formula:
C13H16ClN5
Molecular Weight:
277.7526
IUPAC Name:
6-chloro-4-N-ethyl-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C13H16ClN5/c1-2-15-12-17-11(14)18-13(19-12)16-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,15,16,17,18,19)
InChI Key:
FQKMDKUNABLFPW-UHFFFAOYSA-N
SMILES:
CCNc1nc(NCCc2ccccc2)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:
277.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.756g/mol
Monoisotopic Mass:
277.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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