| CAS Number | 1019372-31-6 |
| Catalog Number | AG01BFOF(AGN-PC-0WOVZT) |
| Chemical Name | 6-[(cyclopropylmethyl)amino]pyridine-3-carboxylic acid |
| IUPAC Name | 6-(cyclopropylmethylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H12N2O2/c13-10(14)8-3-4-9(12-6-8)11-5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,11,12)(H,13,14) |
| InChI Key | GXRUIYPLVQEHAQ-UHFFFAOYSA-N |
| MDL Number | MFCD11132056 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | OC(C1=CN=C(NCC2CC2)C=C1)=O |
| Synonyms | 6-[(cyclopropylmethyl)amino]pyridine-3-carboxylic acid,
1019372-31-6,
ZINC19844691,
AKOS000214456,
NE18234,
Z1895742175,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number