| CAS Number | 78243-67-1 |
| Catalog Number | AG005NIE(AGN-PC-0WB4SZ) |
| Chemical Name | 5-Amino-2-(3-methyl-1-piperidinyl)benzoic acid |
| IUPAC Name | 5-amino-2-(3-methylpiperidin-1-yl)benzoic acid |
| InChI | InChI=1S/C13H18N2O2/c1-9-3-2-6-15(8-9)12-5-4-10(14)7-11(12)13(16)17/h4-5,7,9H,2-3,6,8,14H2,1H3,(H,16,17) |
| InChI Key | HLHXVRSOPLAEAC-UHFFFAOYSA-N |
| MDL Number | MFCD08691778 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | C1(C=C(N)C=CC=1N1CCCC(C)C1)C(O)=O |
| Synonyms | 78243-67-1,
5-AMINO-2-(3-METHYL-1-PIPERIDINYL)BENZOIC ACID,
5-Amino-2-(3-methylpiperidin-1-yl)benzoic acid,
SCHEMBL9223541,
CTK5E5566,
DTXSID80443779,
CHEMBRDG-BB 7651776,
ZX-CM017433,
MFCD08691778,
AKOS005795696,
BC4245795,
Y-4436,
CID10704856,
5-amino-2-(3-methyl-1-piperidyl)benzoic Acid,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number