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100139-90-0 | 4-Pyridinecarboxylic acid, 2,6-diamino-, pentyl ester
CAS No: 100139-90-0 Catalog No: AG00012W MDL No:
Product Description
Catalog Number:
AG00012W
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-diamino-, pentyl ester
CAS Number:
100139-90-0
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
IUPAC Name:
pentyl 2,6-diaminopyridine-4-carboxylate
InChI:
InChI=1S/C11H17N3O2/c1-2-3-4-5-16-11(15)8-6-9(12)14-10(13)7-8/h6-7H,2-5H2,1H3,(H4,12,13,14)
InChI Key:
MBAQGIMTJJWJAP-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1cc(N)nc(c1)N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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