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85304-88-7

85304-88-7 | Ethanone, 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-

CAS No: 85304-88-7 Catalog No: AG004LP5 MDL No:

Product Description

Catalog Number:
AG004LP5
Chemical Name:
Ethanone, 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-
CAS Number:
85304-88-7
Molecular Formula:
C13H17N5O
Molecular Weight:
259.3070
IUPAC Name:
1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone
InChI:
InChI=1S/C13H17N5O/c1-8(19)9-4-6-10(7-5-9)18-12(15)16-11(14)17-13(18,2)3/h4-7H,1-3H3,(H4,14,15,16,17)
InChI Key:
DZCIWZYDWLPKEI-UHFFFAOYSA-N
SMILES:
NC1=NC(N(C(=N1)N)c1ccc(cc1)C(=O)C)(C)C

Properties

Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.143g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.313g/mol
Monoisotopic Mass:
259.143g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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