Methyl 4-(4-acetylpiperazin-1-yl)-3-aminobenzoate
Basic information
- CAS
767316-73-4- Standard SMILES
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(N)c1- InChIKey
FMENJLVKRXBFEC-UHFFFAOYSA-N- Molecular formula
- C14H19N3O3
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.14264148
Names & identifiers
- Preferred name
- Methyl 4-(4-acetylpiperazin-1-yl)-3-aminobenzoate
- IUPAC
- methyl 4-(4-acetylpiperazin-1-yl)-3-aminobenzoate
- English name
- 4-(4-Acetyl-1-piperazinyl)-3-amino-benzoic acid methyl ester
- Molecular formula
- C14H19N3O3
- Molecular weight
- 277.32
Names & synonyms
767316-73-4methyl 4-(4-acetylpiperazin-1-yl)-3-aminobenzoate4-(4-Acetyl-1-piperazinyl)-3-amino-benzoic acid methyl esterDTXSID30428531STK183932AKOS000104354DB-075177FMENJLVKRXBFEC-UHFFFAOYSA-NBenzoic acid, 4-(4-acetyl-1-piperazinyl)-3-amino-, methyl ester
Database identifiers
- CAS
767316-73-4- PubChem CID
- 7328477
- DTXSID
DTXSID30428531
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 518.9 · 518.9±50.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.11(Predicted)
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Related reactions
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Compound notes
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