| CAS Number | 1240527-23-4 |
| Catalog Number | AG01A8V3 |
| Chemical Name | 4-{[Cyclopropyl(ethyl)amino]methyl}benzoic acid hydrochloride |
| IUPAC Name | 4-[[cyclopropyl(ethyl)amino]methyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-2-14(12-7-8-12)9-10-3-5-11(6-4-10)13(15)16;/h3-6,12H,2,7-9H2,1H3,(H,15,16);1H |
| InChI Key | SMVLJHLOUHABFT-UHFFFAOYSA-N |
| MDL Number | MFCD16547564 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.CCN(C1CC1)CC1=CC=C(C(O)=O)C=C1 |
| Synonyms | 4-{[cyclopropyl(ethyl)amino]methyl}benzoic acid hydrochloride,
1240527-23-4,
AC1Q39ST,
MCULE-1649699491,
NE48220,
EN300-62643,
Z992717368,
4-([cyclopropyl(ethyl)amino]methyl)benzoic acid hydrochloride,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/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