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86241-64-7 | methyl 3-(4,6-diamino-1,3,5-triazin-2-yl)propanoate
CAS No: 86241-64-7 Catalog No: AG004NGN MDL No:
Product Description
Catalog Number:
AG004NGN
Chemical Name:
methyl 3-(4,6-diamino-1,3,5-triazin-2-yl)propanoate
CAS Number:
86241-64-7
Molecular Formula:
C7H11N5O2
Molecular Weight:
197.1945
IUPAC Name:
methyl 3-(4,6-diamino-1,3,5-triazin-2-yl)propanoate
InChI:
InChI=1S/C7H11N5O2/c1-14-5(13)3-2-4-10-6(8)12-7(9)11-4/h2-3H2,1H3,(H4,8,9,10,11,12)
InChI Key:
LHYSWLRNUDOUEV-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1nc(N)nc(n1)N
NSC Number:
101829
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.198g/mol
Monoisotopic Mass:
197.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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