Piperazine, 1-(10,11-dihydrodibenzo(b,f)oxepin-10-yl)-4-methyl-, maleate (1:1)
Basic information
- CAS
4789-51-9- Standard SMILES
CN1CCN(C2Cc3ccccc3Oc3ccccc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
HPWLVEJHTFGTGR-WLHGVMLRSA-N- Molecular formula
- C23H26N2O5
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18417193
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydrodibenzo(b,f)oxepin-10-yl)-4-methyl-, maleate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
Names & synonyms
Piperazine, 1-(10,11-dihydrodibenzo(b,f)oxepin-10-yl)-4-methyl-, maleate (1:1)4789-51-9RefChem:10957451-(10,11-Dihydrodibenzo(b,f)oxepin-10-yl)-4-methylpiperazine maleate
Database identifiers
- CAS
4789-51-9- PubChem CID
- 6444461
Properties
Computed structural properties
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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