| CAS Number | 960060-85-9 |
| Catalog Number | AG01ABGN(AGN-PC-0WNNYK) |
| Chemical Name | 6-(isopropylaMino)nicotinic acid |
| IUPAC Name | 6-(propan-2-ylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H12N2O2/c1-6(2)11-8-4-3-7(5-10-8)9(12)13/h3-6H,1-2H3,(H,10,11)(H,12,13) |
| InChI Key | ORJYNQYULBKEFU-UHFFFAOYSA-N |
| MDL Number | MFCD11131987 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CC(NC1=NC=C(C(O)=O)C=C1)C |
| Synonyms | 6-(isopropylamino)nicotinic acid,
960060-85-9,
6-[(propan-2-yl)amino]pyridine-3-carboxylic acid,
6-(propan-2-ylamino)pyridine-3-carboxylic acid,
AC1Q1QB0,
CHEMBL394469,
DTXSID20651391,
ZINC19844583,
AKOS000213750,
MCULE-4081168849,
NE48534,
RL06076,
EN300-71577,
J-518077,
F6146-0043,
Z1171979211,
6-(Isopropylamino)nicotinicacid,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number