| CAS Number | 1423031-32-6 |
| Catalog Number | AG01A1JA(AGN-PC-0WOTGM) |
| Chemical Name | 2-(Aminomethyl)pyridine-4-carboxylic acid methyl ester dihydrochloride |
| IUPAC Name | methyl 2-(aminomethyl)pyridine-4-carboxylate;dihydrochloride |
| InChI | InChI=1S/C8H10N2O2.2ClH/c1-12-8(11)6-2-3-10-7(4-6)5-9;;/h2-4H,5,9H2,1H3;2*1H |
| InChI Key | FJENXLNNGVRVJW-UHFFFAOYSA-N |
| MDL Number | MFCD22421859 |
| Molecular Formula | C8H12Cl2N2O2 |
| Molecular Weight | 239.0991 |
| SMILES | O=C(C1=CC(CN)=NC=C1)OC.Cl.Cl |
| Synonyms | methyl 2-(aminomethyl)pyridine-4-carboxylate dihydrochloride,
1423031-32-6,
SCHEMBL16929773,
FJENXLNNGVRVJW-UHFFFAOYSA-N,
AKOS026743132,
MCULE-8869773487,
EN300-113789,
Z1473962655,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.096g/mol |
| Monoisotopic Mass | 238.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number