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1378511-09-1 | 3-Pyridinecarboxylic acid, 4,6-diamino-, ethyl ester
CAS No: 1378511-09-1 Catalog No: AG0013Y1 MDL No:MFCD18204878
Product Description
Catalog Number:
AG0013Y1
Chemical Name:
3-Pyridinecarboxylic acid, 4,6-diamino-, ethyl ester
CAS Number:
1378511-09-1
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD18204878
IUPAC Name:
ethyl 4,6-diaminopyridine-3-carboxylate
InChI:
InChI=1S/C8H11N3O2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3,(H4,9,10,11)
InChI Key:
FBQMQXDIPMHSKM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(cc1N)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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