2-(4-Methylpiperazin-1-yl)ethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate--hydrogen chloride (1/1)
Basic information
- CAS
37906-96-0- Standard SMILES
CN1CCN(CCOC(=O)C2C3C=CC=CCC32)CC1.Cl- InChIKey
WAOZHZAITSLGOA-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Overview
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Names & identifiers
- Preferred name
- 2-(4-Methylpiperazin-1-yl)ethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate--hydrogen chloride (1/1)
- IUPAC
- 2-(4-methylpiperazin-1-yl)ethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate;hydrochloride
Names & synonyms
DTXSID709589282-(4-Methylpiperazin-1-yl)ethyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
37906-96-0- PubChem CID
- 138399343
- DTXSID
DTXSID70958928
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
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Compound notes
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