| CAS Number | 1391358-23-8 |
| Catalog Number | AG01A2A5 |
| Chemical Name | Methyl 4-(aminomethyl)-2-methoxybenzoate hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)-2-methoxybenzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO3.ClH/c1-13-9-5-7(6-11)3-4-8(9)10(12)14-2;/h3-5H,6,11H2,1-2H3;1H |
| InChI Key | OOSFUFCWBBHGHD-UHFFFAOYSA-N |
| MDL Number | MFCD22566087 |
| Molecular Formula | C10H14ClNO3 |
| Molecular Weight | 231.6761 |
| SMILES | Cl.COC(C1=C(OC)C=C(CN)C=C1)=O |
| Synonyms | methyl 4-(aminomethyl)-2-methoxybenzoate hydrochloride,
1391358-23-8,
SCHEMBL12498658,
AKOS026031353,
MCULE-2534428730,
NE37178,
Z1511494601,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.676g/mol |
| Monoisotopic Mass | 231.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number