Basic information
- CAS
53073-56-6- Standard SMILES
CC(C)(C)c1ccc2c(c1)OCC(CN1CCNC(CCO)C1)O2.Cl.Cl- InChIKey
NLTLMPOMFTYSMZ-UHFFFAOYSA-N- Molecular formula
- C19H32Cl2N2O3
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 406.1789983
Names & identifiers
- Preferred name
- 2-Piperazineethanol, 4-((6-(1,1-dimethylethyl)-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, dihydrochloride
- IUPAC
- 2-[4-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazin-2-yl]ethanol;dihydrochloride
Names & synonyms
CRL 40012-Piperazineethanol, 4-((6-(1,1-dimethylethyl)-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, dihydrochloride53073-56-61-(2-(6-(tert-Butyl)-1,4-benzodioxanyl)methyl)-4-(2-hydroxyethyl)piperazine dihydrochlorideRefChem:265437DTXSID409675822-{4-[(6-tert-Butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazin-2-yl}ethan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
53073-56-6- PubChem CID
- 3040904
- DTXSID
DTXSID40967582
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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