Basic information
- CAS
58350-14-4- Standard SMILES
Cl.Cl.c1ccc(CCN2CCN3CCc4ccccc4CC3C2)cc1- InChIKey
TUUQNPINIKSMOT-UHFFFAOYSA-N- Molecular formula
- C21H28Cl2N2
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 378.1629543
Names & identifiers
- Preferred name
- Pyrazino(2,1-b)(3)benzazepine, 1,2,3,4,6,7,12,12a-octahydro-2-(2-phenylethyl)-, dihydrochloride
- IUPAC
- 2-(2-phenylethyl)-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine;dihydrochloride
Names & synonyms
2-(beta-Phenethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HClPyrazino(2,1-b)(3)benzazepine, 1,2,3,4,6,7,12,12a-octahydro-2-(2-phenylethyl)-, dihydrochloride58350-14-4RefChem:376029DTXSID709739142-(2-Phenylethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino[2,1-b][3]benzazepine--hydrogen chloride (1/2)
Database identifiers
- CAS
58350-14-4- PubChem CID
- 3045201
- DTXSID
DTXSID70973914
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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