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102587-60-0 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(3-phenylpropyl)-
CAS No: 102587-60-0 Catalog No: AG0007U8 MDL No:
Product Description
Catalog Number:
AG0007U8
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(3-phenylpropyl)-
CAS Number:
102587-60-0
Molecular Formula:
C14H18ClN5
Molecular Weight:
291.7792
IUPAC Name:
6-chloro-4-N-ethyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C14H18ClN5/c1-2-16-13-18-12(15)19-14(20-13)17-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,16,17,18,19,20)
InChI Key:
PUXVCBJFYJVYJL-UHFFFAOYSA-N
SMILES:
CCNc1nc(NCCCc2ccccc2)nc(n1)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.783g/mol
Monoisotopic Mass:
291.125g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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