| CAS Number | 1390654-31-5 |
| Catalog Number | AG00J10K |
| Chemical Name | N-methyl-N-(4-pyridinylmethyl)glycine dihydrochloride |
| IUPAC Name | 2-[methyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride |
| InChI | InChI=1S/C9H12N2O2.2ClH/c1-11(7-9(12)13)6-8-2-4-10-5-3-8;;/h2-5H,6-7H2,1H3,(H,12,13);2*1H |
| InChI Key | WAIHBBOIVUONIO-UHFFFAOYSA-N |
| MDL Number | MFCD13193825 |
| Molecular Formula | C9H14Cl2N2O2 |
| Molecular Weight | 253.1257 |
| SMILES | C(O)(CN(C)CC1C=CN=CC=1)=O.Cl.Cl |
| Synonyms | N-Methyl-N-(4-pyridinylmethyl)glycine dihydrochloride,
1390654-31-5,
ZX-CM002410,
MFCD13193825,
N-Methyl-N-(pyridin-4-ylmethyl)glycine dihydrochloride, AldrichCPR,
915922-64-4,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.123g/mol |
| Monoisotopic Mass | 252.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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