| CAS Number | 1255718-17-2 |
| Catalog Number | AG00J199(AGN-PC-0WB6VJ) |
| Chemical Name | N-Methyl-1-(3-(pyridin-3-yl)isoxazol-5-yl)methanamine dihydrochloride |
| IUPAC Name | N-methyl-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C10H11N3O.2ClH/c1-11-7-9-5-10(13-14-9)8-3-2-4-12-6-8;;/h2-6,11H,7H2,1H3;2*1H |
| InChI Key | DVVGXHVASNZFHG-UHFFFAOYSA-N |
| MDL Number | MFCD18071196 |
| Molecular Formula | C10H13Cl2N3O |
| Molecular Weight | 262.1357 |
| SMILES | N1OC(=CC=1C1C=CC=NC=1)CNC.Cl.Cl |
| Synonyms | 1255718-17-2,
N-Methyl-1-[3-(3-pyridinyl)-5-isoxazolyl]methanamine dihydrochloride,
ZX-CM003564,
MFCD18071196,
AKOS027426232,
N-Methyl-1-(3-pyridin-3-ylisoxazol-5-yl)methanamine dihydrochloride,
N-Methyl-1-(3-(pyridin-3-yl)isoxazol-5-yl)methanamine dihydrochloride,
N-Methyl-1-(3-pyridin-3-ylisoxazol-5-yl)methanamine dihydrochloride, AldrichCPR,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.134g/mol |
| Monoisotopic Mass | 261.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number