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1000783-11-8

1000783-11-8 | 2-Pyridinecarboxylic acid, 4,5-diamino-, ethyl ester

CAS No: 1000783-11-8 Catalog No: AG0000UA MDL No:MFCD13181796

Product Description

Catalog Number:
AG0000UA
Chemical Name:
2-Pyridinecarboxylic acid, 4,5-diamino-, ethyl ester
CAS Number:
1000783-11-8
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD13181796
IUPAC Name:
ethyl 4,5-diaminopyridine-2-carboxylate
InChI:
InChI=1S/C8H11N3O2/c1-2-13-8(12)7-3-5(9)6(10)4-11-7/h3-4H,2,10H2,1H3,(H2,9,11)
InChI Key:
XFGYUNVIMSXNNA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(N)c(cn1)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

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