| CAS Number | 73686-77-8 |
| Catalog Number | AG008QCB(AGN-PC-0KYHAH) |
| Chemical Name | 4-(Propylamino)benzoic acid |
| IUPAC Name | 4-(propylamino)benzoic acid |
| InChI | InChI=1S/C10H13NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13) |
| InChI Key | BFPWLARXKLUGHY-UHFFFAOYSA-N |
| MDL Number | MFCD02856235 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | C(O)(=O)C1C=CC(=CC=1)NCCC |
| Synonyms | 4-(propylamino)benzoic acid,
73686-77-8,
AC1MV8GN,
AC1Q2Y3X,
SCHEMBL872409,
CTK5D8478,
DTXSID10394942,
BFPWLARXKLUGHY-UHFFFAOYSA-N,
ZINC2584892,
MFCD02856235,
AKOS009113452,
MCULE-9685291867,
AJ-43498,
EN300-86907,
W-9811,
4-propylaminobenzoic Acid,
CID3679274,
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| Complexity | 162 |
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number