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828-85-3 | 4,7-Pteridinediamine,N4-methyl-
CAS No: 828-85-3 Catalog No: AG00559S MDL No:
Product Description
Catalog Number:
AG00559S
Chemical Name:
4,7-Pteridinediamine,N4-methyl-
CAS Number:
828-85-3
Molecular Formula:
C7H8N6
Molecular Weight:
176.1786
IUPAC Name:
4-N-methylpteridine-4,7-diamine
InChI:
InChI=1S/C7H8N6/c1-9-6-5-7(12-3-11-6)13-4(8)2-10-5/h2-3H,1H3,(H3,8,9,11,12,13)
InChI Key:
WUSIWQYMJNBESW-UHFFFAOYSA-N
SMILES:
CNc1ncnc2c1ncc(n2)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.183g/mol
Monoisotopic Mass:
176.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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