| CAS Number | 1311318-00-9 |
| Catalog Number | AG01AHOU |
| Chemical Name | methyl 1-(3-aminopropyl)piperidine-4-carboxylate dihydrochloride |
| IUPAC Name | methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride |
| InChI | InChI=1S/C10H20N2O2.2ClH/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11;;/h9H,2-8,11H2,1H3;2*1H |
| InChI Key | IZOBOWZVXWXLCD-UHFFFAOYSA-N |
| MDL Number | MFCD18785551 |
| Molecular Formula | C10H22Cl2N2O2 |
| Molecular Weight | 273.1999 |
| SMILES | Cl.Cl.COC(C1CCN(CCCN)CC1)=O |
| Synonyms | methyl 1-(3-aminopropyl)piperidine-4-carboxylate dihydrochloride,
1311318-00-9,
MCULE-5758868836,
NE18777,
EN300-75353,
Z1787158632,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.198g/mol |
| Monoisotopic Mass | 272.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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