Basic information
- CAS
40890-92-4- Standard SMILES
COc1ccc(C(=O)N(O)CN2CCN(C)CC2)cc1- InChIKey
MXWSXHVOEXQWPD-UHFFFAOYSA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.15829154
Names & identifiers
- Preferred name
- 4-Methoxy-N-(4-methylpiperazinyl)methylbenzohydroxamic acid
- IUPAC
- N-hydroxy-4-methoxy-N-[(4-methylpiperazin-1-yl)methyl]benzamide
- English name
- 4-Methoxy-N-[(4-methyl-1-piperazinyl)methyl]benzohydroxamic acid
- Molecular formula
- C14H21N3O3
- Molecular weight
- 279.33
Names & synonyms
40890-92-4BENZOHYDROXAMIC ACID, 4-METHOXY-N-(4-METHYLPIPERIZANYL)METHYL-BRN 05398234-Methoxy-N-(4-methylpiperazinyl)methylbenzohydroxamic acidN-hydroxy-4-methoxy-N-[(4-methylpiperazin-1-yl)methyl]benzamideDTXSID301938934-Methoxy-N-[(4-methyl-1-piperazinyl)methyl]benzohydroxamic acidBenzamide, N-hydroxy-4-methoxy-N-[(4-methyl-1-piperazinyl)methyl]-
Database identifiers
- CAS
40890-92-4- PubChem CID
- 38701
- DTXSID
DTXSID30193893- Nikkaji
- J41.234A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 441.8 · 441.8±55.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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