| CAS Number | 1240527-20-1 |
| Catalog Number | AG01A97K |
| Chemical Name | 4-{[Ethyl(propan-2-yl)amino]methyl}benzoic acid hydrochloride |
| IUPAC Name | 4-[[ethyl(propan-2-yl)amino]methyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H19NO2.ClH/c1-4-14(10(2)3)9-11-5-7-12(8-6-11)13(15)16;/h5-8,10H,4,9H2,1-3H3,(H,15,16);1H |
| InChI Key | IZWAPTOYUOCZGX-UHFFFAOYSA-N |
| MDL Number | MFCD16547666 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | Cl.CCN(C(C)C)CC1=CC=C(C(O)=O)C=C1 |
| Synonyms | 4-{[ethyl(propan-2-yl)amino]methyl}benzoic acid hydrochloride,
1240527-20-1,
AC1Q39SS,
MCULE-8370629799,
NE45044,
EN300-64397,
Z1259161877,
4-([ethyl(propan-2-yl)amino]methyl)benzoic acid hydrochloride,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.758g/mol |
| Monoisotopic Mass | 257.118g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number