| CAS Number | 26218-04-2 |
| Catalog Number | AG00C2YU(AGN-PC-0092WR) |
| Chemical Name | p-Aminobenzoesure-2-Ethylhexylester |
| IUPAC Name | 2-ethylhexyl 4-aminobenzoate |
| InChI | InChI=1S/C15H23NO2/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3 |
| InChI Key | ZJQXUTDROPGVLH-UHFFFAOYSA-N |
| MDL Number | MFCD13340006 |
| Molecular Formula | C15H23NO2 |
| Molecular Weight | 249.3486 |
| SMILES | CCCCC(CC)COC(=O)c1ccc(cc1)N |
| Synonyms | 2-ethylhexyl 4-aminobenzoate,
26218-04-2,
SCHEMBL3372196,
ZJQXUTDROPGVLH-UHFFFAOYSA-N,
p-Aminobenzoesure-2-ethylhexylester,
MFCD13340006,
AKOS010555785,
4-Aminobenzoic acid 2-ethylhexyl ester,
AK517874,
DS-19078,
FT-0761109,
Z2472860094,
CID11436614,
EC 420-170-3,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.354g/mol |
| Monoisotopic Mass | 249.173g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number