Basic information
- CAS
436811-00-6- Standard SMILES
CN1CCN(C(=O)C2C3C=CC(C3)C2C(=O)O)CC1- InChIKey
UOVMFIQDEOSINK-UHFFFAOYSA-N- Molecular formula
- C14H20N2O3
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.1473925
Names & identifiers
- Preferred name
- 3-(4-Methylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- IUPAC
- 3-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- English name
- 3-(4-Methyl-piperazine-1-carbonyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- Molecular formula
- C14H20N2O3
- Molecular weight
- 264.32
Names & synonyms
436811-00-63-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-(4-Methyl-piperazine-1-carbonyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acidMFCD067994123-[(4-methylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-[(4-methylpiperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acidbicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-Oprea1_728552MLS000031707CHEMBL1300216DTXSID20349524HMS1681H09
Show more names
BAS 03650847TIMTEC-BB SBB0010206-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid6-(4-methylpiperazin-1-yl)carbonylbicyclo[2.2.1]hept-2-ene-5-carboxylic acid
HMS2178L03ALBB-023173SBB001020STK455008AKOS000300340AKOS016352785NS-04155SMR000012515
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 470 · 470.0±45.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.40(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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