| CAS Number | 90610-24-5 |
| Catalog Number | AG01DLSW |
| Chemical Name | methyl 5-(aminomethyl)-2-hydroxybenzoate hydrochloride |
| IUPAC Name | methyl 5-(aminomethyl)-2-hydroxybenzoate;hydrochloride |
| InChI | InChI=1S/C9H11NO3.ClH/c1-13-9(12)7-4-6(5-10)2-3-8(7)11;/h2-4,11H,5,10H2,1H3;1H |
| InChI Key | QKMAXZJEOQYXNZ-UHFFFAOYSA-N |
| MDL Number | MFCD09877748 |
| Molecular Formula | C9H12ClNO3 |
| Molecular Weight | 217.6495 |
| SMILES | Cl.COC(=O)c1cc(CN)ccc1O |
| Synonyms | Methyl 5-(aminomethyl)-2-hydroxybenzoate hydrochloride,
5-Aminomethyl-salicylic acid methyl ester Hcl,
90610-24-5,
5-Aminomethylsalicylic acid methyl ester,
5-aminomethyl-2-hydroxybenzoic acid methyl ester,
SCHEMBL1165499,
MFCD09877748,
AS-35354,
AX8038251,
X-2928,
5-Aminomethylsalicylic acid methyl ester hydrochloride,
5-Aminomethyl-salicylic acid methyl ester hydrochloride,
5-(Aminomethyl)-2-hydroxy-benzoic acid methyl ester, HCl,
5-aminomethyl-salicylic acid methyl ester,
7383-01-9,
5-aminomethyl-2-hydroxy-benzoic acid methyl ester,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.649g/mol |
| Monoisotopic Mass | 217.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number