| CAS Number | 72954-99-5 |
| Catalog Number | AG00J1PS |
| Chemical Name | [2-Methyl-1-(3-pyridinyl)propyl]amine dihydrochloride |
| IUPAC Name | 2-methyl-1-pyridin-3-ylpropan-1-amine;dihydrochloride |
| InChI | InChI=1S/C9H14N2.2ClH/c1-7(2)9(10)8-4-3-5-11-6-8;;/h3-7,9H,10H2,1-2H3;2*1H |
| InChI Key | HRPFEVDYCALKLE-UHFFFAOYSA-N |
| MDL Number | MFCD09864466 |
| Molecular Formula | C9H16Cl2N2 |
| Molecular Weight | 223.1427 |
| SMILES | CC(C)C(C1=CC=CN=C1)N.[H]Cl.[H]Cl |
| Synonyms | [2-methyl-1-(3-pyridinyl)propyl]amine dihydrochloride,
72954-99-5,
2-Methyl-1-(3-pyridinyl)-1-propanamine dihydrochloride,
(S)-2-methyl-1-(pyridin-3-yl)propan-1-amine dihydrochloride,
SCHEMBL20138991,
ZX-CM005691,
MFCD09864466,
MCULE-3142735668,
4026592-25G,
2-Methyl-1-(3-pyridinyl)-1-propanamine dihydrochloride, AldrichCPR,
1311255-10-3,
343270-47-3,
|
| Complexity | 112 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number