| CAS Number | 67688-73-7 |
| Catalog Number | AG00J2JL |
| Chemical Name | 4-[(Methylamino)methyl]benzoic acid hydrochloride |
| IUPAC Name | 4-(methylaminomethyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c1-10-6-7-2-4-8(5-3-7)9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H |
| InChI Key | PUCDEISRIQQPFA-UHFFFAOYSA-N |
| MDL Number | MFCD08707970 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | C(O)(=O)C1=CC=C(C=C1)CNC.Cl |
| Synonyms | 4-[(methylamino)methyl]benzoic acid hydrochloride,
67688-73-7,
EN300-75781,
AE-562/43460635,
SCHEMBL944164,
ZX-CM009869,
MFCD08707970,
Z2492800367,
96084-38-7,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number