Basic information
- CAS
92758-98-0- Standard SMILES
Cl.Cl.O=C(NCN1CCN(CCOc2ccccc2)CC1)C1COc2ccccc2O1- InChIKey
QQHSKUAPCUPZBR-UHFFFAOYSA-N- Molecular formula
- C22H29Cl2N3O4
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 469.1535118
Overview
structure given in first source
Names & identifiers
- Preferred name
- MS 1-2
- IUPAC
- N-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;dihydrochloride
- English name
- 1,4-Benzodioxin-2-carboxamide, 2,3-dihydro-N-((4-(2-phenoxyethyl)-1-pi perazinyl)methyl)-, trans-
- Molecular formula
- C22H29Cl2N3O4
- Molecular weight
- 470.38936
Names & synonyms
92758-98-0MC 1-2MS 1-2RefChem:159924MS-1-2N-(4-Phenoxyethyl-1-piperazinomethyl)-1,4-benzodioxan-2-carboxamide dihydrochloride1,4-Benzodioxan-2-carboxamide, N-((4-(2-phenoxyethyl)-1-piperazinyl)methyl)-, dihydrochlorideN-((4-(2-Phenoxyethyl)-1-piperazinyl)methyl)-1,4-benzodioxan-2-carboxamide dihydrochlorideDTXSID809189721,4-Benzodioxin-2-carboxamide, 2,3-dihydro-N-((4-(2-phenoxyethyl)-1-piperazinyl)methyl)-, trans-N-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;dihydrochlorideN-{[4-(2-Phenoxyethyl)piperazin-1-yl]methyl}-2,3-dihydro-1,4-benzodioxine-2-carboximidic acid--hydrogen chloride (1/2)
Show more names
1,4-Benzodioxin-2-carboxamide, 2,3-dihydro-N-((4-(2-phenoxyethyl)-1-pi perazinyl)methyl)-, trans-
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 506
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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