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74611-53-3 | 3-Pyridinecarboxylic acid, 2-(butylamino)-
CAS No: 74611-53-3 Catalog No: AG005J40 MDL No:
Product Description
Catalog Number:
AG005J40
Chemical Name:
3-Pyridinecarboxylic acid, 2-(butylamino)-
CAS Number:
74611-53-3
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
2-(butylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H14N2O2/c1-2-3-6-11-9-8(10(13)14)5-4-7-12-9/h4-5,7H,2-3,6H2,1H3,(H,11,12)(H,13,14)
InChI Key:
NSSDYBCHSQWCCN-UHFFFAOYSA-N
SMILES:
CCCCNc1ncccc1C(=O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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