1-Cyclohexyl-1H-pyrrole-2-carbaldehyde
Basic information
- CAS
878422-21-0- Standard SMILES
O=Cc1cccn1C1CCCCC1- InChIKey
GEZMAGRHANFXAR-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 1-Cyclohexyl-1H-pyrrole-2-carbaldehyde
- IUPAC
- 1-cyclohexylpyrrole-2-carbaldehyde
- English name
- 1-Cyclohexyl-1H-pyrrole-2-carbaldehyde
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
1-Cyclohexyl-1H-pyrrole-2-carbaldehyde878422-21-01-cyclohexylpyrrole-2-carbaldehydeDTXSID30390360BBL011976MFCD00457594SBB010616STK947219AKOS000102065SB62591DA-19620VS-03143
Show more names
TIMTEC-BB SBB010616ASINEX-REAG BAS 129196631-CYCLOHEXYL-1H-PYRROLE-2-CARBOXALDEHYDE1H-PYRROLE-2-CARBOXALDEHYDE, 1-CYCLOHEXYL-
CS-0117893ST50294319
Database identifiers
- CAS
878422-21-0- PubChem CID
- 3163702
- DTXSID
DTXSID30390360
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 307 · 307.0±15.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- -7.16 · -7.16±0.20(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…