2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
Basic information
- CAS
414872-66-5- Standard SMILES
O=C(O)C1CCCCC1C(=O)N1CCCC1- InChIKey
ZOLDEFAIBWNKIN-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
- IUPAC
- 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
- English name
- 2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxylic acid(SALTDATA: FREE)
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
414872-66-52-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid2-(Pyrrolidine-1-carbonyl)cyclohexanecarboxylic acid2-(PYRROLIDIN-1-YLCARBONYL)CYCLOHEXANECARBOXYLIC ACID2-(PYRROLIDINE-1-CARBONYL)-CYCLOHEXANE-CARBOXYLIC ACIDMFCD005831932-(1-pyrrolidinylcarbonyl)cyclohexanecarboxylic acid2-(Pyrrolidine-1-carbonyl)-cyclohexanecarboxylic acid2-(pyrrolidinylcarbonyl)cyclohexanecarboxylic acidCambridge id 5257081TimTec1_006416Oprea1_001455
Show more names
Cyclohexanecarboxylic acid, 2-(1-pyrrolidinylcarbonyl)-2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxylic acid(SALTDATA: FREE)
Oprea1_173629MLS000713607CHEMBL1886463DTXSID00385526HMS1552D14HMS2663H23SBB027940AKOS000129300
Database identifiers
- CAS
414872-66-5- PubChem CID
- 2837862
- DTXSID
DTXSID00385526- ChEMBL
CHEMBL1886463
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 433.1 · 433.1±38.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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