| CAS Number | 1020932-89-1 |
| Catalog Number | AG01A7ZP |
| Chemical Name | 4-[Butyl(ethyl)amino]benzoic acid |
| IUPAC Name | 4-[butyl(ethyl)amino]benzoic acid |
| InChI | InChI=1S/C13H19NO2/c1-3-5-10-14(4-2)12-8-6-11(7-9-12)13(15)16/h6-9H,3-5,10H2,1-2H3,(H,15,16) |
| InChI Key | MPKLYVVYYINWEG-UHFFFAOYSA-N |
| MDL Number | MFCD11156538 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | CCCCN(C1=CC=C(C(O)=O)C=C1)CC |
| Synonyms | 4-[butyl(ethyl)amino]benzoic acid,
1020932-89-1,
AC1Q2WR6,
CTK6E1960,
ADAL1058485,
ZINC20079949,
AKOS000260369,
MCULE-1711062684,
NE40525,
EN300-60287,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number