| CAS Number | 21716-81-4 |
| Catalog Number | AG00BESB(AGN-PC-0WB50H) |
| Chemical Name | 2-(Propylamino)benzoic acid |
| IUPAC Name | 2-(propylamino)benzoic acid |
| InChI | InChI=1S/C10H13NO2/c1-2-7-11-9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13) |
| InChI Key | VVXHQGJZORQMOC-UHFFFAOYSA-N |
| MDL Number | MFCD07439739 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | C1(=CC=CC=C1NCCC)C(O)=O |
| Synonyms | 2-(propylamino)benzoic acid,
21716-81-4,
propylaminobenzoic acid,
AC1OSLQT,
SCHEMBL1902821,
CTK4E7549,
DTXSID80428884,
ZINC5520619,
MFCD07439739,
SBB045980,
AKOS000125136,
MCULE-2686863166,
AJ-54257,
ST50770064,
Y-3105,
Z111833842,
2-propylaminobenzoic Acid,
CID7721340,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number