Basic information
- CAS
29573-86-2- Standard SMILES
Cl.Cl.O=C(CN1CCN(CCO)CC1)N1c2ccccc2CCc2ccccc21- InChIKey
TZGOOZDYIXRJPG-UHFFFAOYSA-N- Molecular formula
- C22H29Cl2N3O2
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 437.1636826
Names & identifiers
- Preferred name
- Ketone, 10,11-dihydro-5H-dibenz(b,f)azepin-5-yl (4-(2-hydroxyethyl)piperazinyl)methyl, dihydrochloride
- IUPAC
- 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
Names & synonyms
29573-86-2Ketone, 10,11-dihydro-5H-dibenz(b,f)azepin-5-yl (4-(2-hydroxyethyl)piperazinyl)methyl, dihydrochlorideDTXSID20183748RefChem:350388DTXCID601062391-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
29573-86-2- PubChem CID
- 34634
- DTXSID
DTXSID20183748
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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