Basic information
- CAS
937662-73-2- Standard SMILES
Cc1ccc(Cn2c(C)ccc2C)cc1- InChIKey
OCKLSLNADYLNNG-UHFFFAOYSA-N- Molecular formula
- C14H17N
- Average molar mass
- 199.29 g/mol
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-(4-methylbenzyl)-1h-pyrrole
- IUPAC
- 2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole
- English name
- 2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole
- Molecular formula
- C14H17N
- Molecular weight
- 199.29
Names & synonyms
937662-73-22,5-dimethyl-1-(4-methylbenzyl)-1h-pyrroleNSC767057AKOS000101322NSC-767057DB-422524UKRORGSYN-BB BBR-0479852,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole1H-PYRROLE, 2,5-DIMETHYL-1-[(4-METHYLPHENYL)METHYL]-
Database identifiers
- CAS
937662-73-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 311 · 311.0±11.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- pka
- -0.73 · -0.73±0.70(Predicted)
Chemistry & industry
Suppliers1 total
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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