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113528-08-8 | 1,3,5-Triazine-2,4-diamine, N2-(2-ethoxyphenyl)-
CAS No: 113528-08-8 Catalog No: AG0008W9 MDL No:
Product Description
Catalog Number:
AG0008W9
Chemical Name:
1,3,5-Triazine-2,4-diamine, N2-(2-ethoxyphenyl)-
CAS Number:
113528-08-8
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
IUPAC Name:
2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C11H13N5O/c1-2-17-9-6-4-3-5-8(9)15-11-14-7-13-10(12)16-11/h3-7H,2H2,1H3,(H3,12,13,14,15,16)
InChI Key:
SFSLMGHPSFLQRS-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1Nc1ncnc(n1)N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.259g/mol
Monoisotopic Mass:
231.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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