Basic information
- CAS
30115-77-6- Standard SMILES
OCCN1CCN(CCCN2Cc3ccccc3CCc3ccccc3C2)CC1- InChIKey
HLZHCGNMOVOPSU-UHFFFAOYSA-N- Molecular formula
- C25H35N3O
- Average molar mass
- 393.6 g/mol
- Monoisotopic mass
- 393.27801275
Names & identifiers
- Preferred name
- 6H-Dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(3-(4-(2-hydroxyethyl)piperazino)propyl)-, trimaleate
- IUPAC
- 2-[4-[3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propyl]piperazin-1-yl]ethanol
- English name
- 4-[3-(6,7,12,13-Tetrahydro-5H-dibenz[c,g]azonin-6-yl)propyl]-1-piperazineethanol
- Molecular formula
- C25H35N3O
- Molecular weight
- 393.56
Names & synonyms
30115-77-66H-Dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(3-(4-(2-hydroxyethyl)piperazino)propyl)-, trimaleateDTXSID70184200RefChem:309587DTXCID401066914-[3-(6,7,12,13-Tetrahydro-5H-dibenz[c,g]azonin-6-yl)propyl]-1-piperazineethanol2-{4-[3-(5,7,12,13-Tetrahydro-6H-dibenzo[c,g]azonin-6-yl)propyl]piperazin-1-yl}ethan-1-ol1-Piperazineethanol, 4-[3-(5,7,12,13-tetrahydro-6H-dibenz[c,g]azonin-6-yl)propyl]-
Database identifiers
- CAS
30115-77-6- PubChem CID
- 207489
- DTXSID
DTXSID70184200- Nikkaji
- J40.881F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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