| CAS Number | 1269384-23-7 |
| Catalog Number | AG00J252 |
| Chemical Name | 1-(5-Methylpyridin-2-yl)propan-1-amine dihydrochloride |
| IUPAC Name | 1-(5-methylpyridin-2-yl)propan-1-amine;dihydrochloride |
| InChI | InChI=1S/C9H14N2.2ClH/c1-3-8(10)9-5-4-7(2)6-11-9;;/h4-6,8H,3,10H2,1-2H3;2*1H |
| InChI Key | VKRLOAUBYPCBRB-UHFFFAOYSA-N |
| MDL Number | MFCD18483521 |
| Molecular Formula | C9H16Cl2N2 |
| Molecular Weight | 223.1427 |
| SMILES | NC(C1=NC=C(C)C=C1)CC.[H]Cl.[H]Cl |
| Synonyms | [1-(5-methyl-2-pyridinyl)propyl]amine dihydrochloride,
1269384-23-7,
ZX-CM008056,
MFCD18483521,
MCULE-5997285410,
1-(5-METHYL-2-PYRIDINYL)-1-PROPANAMINE DIHYDROCHLORIDE,
1210514-03-6,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.141g/mol |
| Monoisotopic Mass | 222.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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