2-Benzoxazolinone, 3-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride, hydrate
Basic information
- CAS
13451-77-9- Standard SMILES
CN1CCN(CCCn2c(=O)oc3ccccc32)CC1.Cl.Cl- InChIKey
XLIDLRIDOOTOJN-UHFFFAOYSA-N- Molecular formula
- C15H23Cl2N3O2
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 347.1167324
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 3-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride, hydrate
- IUPAC
- 3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one;dihydrochloride
Names & synonyms
2-Benzoxazolinone, 3-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride, hydrate13451-77-9DTXSID701587643-(3-(4-Methyl-1-piperazinyl)propyl)-2-benzoxazolinone dihydrochloride hydrateRefChem:256415DTXCID10812553-[3-(4-Methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
13451-77-9- PubChem CID
- 26022
- DTXSID
DTXSID70158764
Properties
Computed structural properties
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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