| CAS Number | 261767-16-2 |
| Catalog Number | AG00I4ZI(AGN-PC-0R2394) |
| Chemical Name | N-(Piperidin-4-ylmethyl)-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide hydrochloride |
| IUPAC Name | N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride |
| InChI | InChI=1S/C15H20N2O3.ClH/c18-15(17-10-11-4-6-16-7-5-11)12-2-1-3-13-14(12)20-9-8-19-13;/h1-3,11,16H,4-10H2,(H,17,18);1H |
| InChI Key | LRYJLOBWOQHQCI-UHFFFAOYSA-N |
| MDL Number | MFCD24377574 |
| Molecular Formula | C15H21ClN2O3 |
| Molecular Weight | 312.7918 |
| SMILES | Cl.O=C(NCC1CCNCC1)c1cccc2OCCOc12 |
| Synonyms | 261767-16-2,
N-(piperidin-4-ylmethyl)-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide hydrochloride,
2,3-DIHYDROBENZO[1,4]DIOXINE-5-CARBOXYLIC ACID(PIPERIDIN-4-YLMETHYL)AMIDE HCL,
SCHEMBL7956600,
MFCD24377574,
CS-0037786,
1,4-Benzodioxin-5-carboxamide, 2,3-dihydro-N-(4-piperidinylmethyl)-,monohydrochloride,
2,3-dihydrobenzo[1,4]dioxine-5-carboxylic acid(piperidin-4-ylmethyl)amide hydrochloride,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.794g/mol |
| Monoisotopic Mass | 312.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number