| CAS Number | 1461713-70-1 |
| Catalog Number | AG01A6FK |
| Chemical Name | 3-{[benzyl(methyl)amino]methyl}benzoic acid hydrochloride |
| IUPAC Name | 3-[[benzyl(methyl)amino]methyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C16H17NO2.ClH/c1-17(11-13-6-3-2-4-7-13)12-14-8-5-9-15(10-14)16(18)19;/h2-10H,11-12H2,1H3,(H,18,19);1H |
| InChI Key | VRVUHOFHXWKSFW-UHFFFAOYSA-N |
| MDL Number | MFCD25371816 |
| Molecular Formula | C16H18ClNO2 |
| Molecular Weight | 291.7726 |
| SMILES | Cl.CN(CC1=CC(C(O)=O)=CC=C1)CC1=CC=CC=C1 |
| Synonyms | 3-{[benzyl(methyl)amino]methyl}benzoic acid hydrochloride,
1461713-70-1,
NE32068,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.775g/mol |
| Monoisotopic Mass | 291.103g/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