| CAS Number | 1334149-66-4 |
| Catalog Number | AG01AJQJ |
| Chemical Name | 1-[(1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-amine trihydrochloride |
| IUPAC Name | 1-(1H-benzimidazol-2-ylmethyl)piperidin-4-amine;trihydrochloride |
| InChI | InChI=1S/C13H18N4.3ClH/c14-10-5-7-17(8-6-10)9-13-15-11-3-1-2-4-12(11)16-13;;;/h1-4,10H,5-9,14H2,(H,15,16);3*1H |
| InChI Key | IXSXULAKKISMDE-UHFFFAOYSA-N |
| MDL Number | MFCD19686335 |
| Molecular Formula | C13H21Cl3N4 |
| Molecular Weight | 339.6916 |
| SMILES | Cl.Cl.Cl.NC1CCN(CC2NC3=C(C=CC=C3)N=2)CC1 |
| Synonyms | 1-(1H-1,3-benzodiazol-2-ylmethyl)piperidin-4-amine trihydrochloride,
1334149-66-4,
AKOS026746523,
NE51932,
EN300-81717,
F2158-1844,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.689g/mol |
| Monoisotopic Mass | 338.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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