Basic information
- CAS
791581-28-7- Standard SMILES
CN(C)c1ccc(C2=CCNC2)cc1- InChIKey
BAFAQAMERJAIND-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 4-(2,5-dihydro-1H-pyrrol-3-yl)-N,N-dimethylaniline
- IUPAC
- 4-(2,5-dihydro-1H-pyrrol-3-yl)-N,N-dimethylaniline
- English name
- Benzenamine, 4-(2,5-dihydro-1H-pyrrol-3-yl)-N,N-dimethyl-
- Molecular formula
- C12H16N2
- Molecular weight
- 188.27
Names & synonyms
4-(2,5-dihydro-1H-pyrrol-3-yl)-N,N-dimethylaniline791581-28-7DTXSID40580992Benzenamine, 4-(2,5-dihydro-1H-pyrrol-3-yl)-N,N-dimethyl-RGB58128AKOS026728962CS-0300254EN300-1243754-(2,5-dihydro-1H-pyrrol-3-yl)-N,N-dimethyl-anilineZ1262616939
Database identifiers
- CAS
791581-28-7- PubChem CID
- 16005222
- DTXSID
DTXSID40580992- Nikkaji
- J1.824.982K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 331 · 331.0±42.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- 9.72 · 9.72±0.40(Predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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