| CAS Number | 1269105-20-5 |
| Catalog Number | AG00J1P3(AGN-PC-0WB79Z) |
| Chemical Name | N-(5-Methyl-2-pyridinyl)-1,3-propanediamine dihydrochloride |
| IUPAC Name | N'-(5-methylpyridin-2-yl)propane-1,3-diamine;dihydrochloride |
| InChI | InChI=1S/C9H15N3.2ClH/c1-8-3-4-9(12-7-8)11-6-2-5-10;;/h3-4,7H,2,5-6,10H2,1H3,(H,11,12);2*1H |
| InChI Key | IQPGTNYZXKXNOC-UHFFFAOYSA-N |
| MDL Number | MFCD18483418 |
| Molecular Formula | C9H17Cl2N3 |
| Molecular Weight | 238.1574 |
| SMILES | N1C=C(C)C=CC=1NCCCN.Cl.Cl |
| Synonyms | 1269105-20-5,
N-(3-aminopropyl)-5-methylpyridin-2-amine dihydrochloride,
N1-(5-Methylpyridin-2-yl)propane-1,3-diamine dihydrochloride,
N-(5-Methyl-2-pyridinyl)-1,3-propanediamine dihydrochloride,
MFCD18483418,
AKOS008105130,
MCULE-1178949113,
NE24759,
EN300-76308,
Z1267881688,
(3-Aminopropyl)(5-methylpyridin-2-yl)amine dihydrochloride, AldrichCPR,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.156g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number