4-(Azetidin-3-yl)-1,4-oxazepane;dihydrochloride
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Basic information
- CAS
178311-99-4- Standard SMILES
C1COCCN(C2CNC2)C1.Cl.Cl- InChIKey
FHCNZZKEWCFVNQ-UHFFFAOYSA-N- Molecular formula
- C8H18Cl2N2O
- Average molar mass
- 229.14 g/mol
- Monoisotopic mass
- 228.0796186
Names & identifiers
- Preferred name
- 4-(Azetidin-3-yl)-1,4-oxazepane;dihydrochloride
- IUPAC
- 4-(azetidin-3-yl)-1,4-oxazepane;dihydrochloride
- English name
- 4-(3-Azetidinyl)hexahydro-1,4-oxazepine dihydrochloride
- Molecular formula
- C8H16N2O.2ClH
- Molecular weight
- 229.149
Names & synonyms
4-(3-Azetidinyl)hexahydro-1,4-oxazepine dihydrochloride
Database identifiers
- CAS
178311-99-4- PubChem CID
- 131875140
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Related reactions
0 records
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Compound notes
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