3-(2,5-Dimethyl-pyrrol-1-yl)-4-methyl-phenylamine
Basic information
- CAS
43070-87-7- Standard SMILES
Cc1ccc(N)cc1-n1c(C)ccc1C- InChIKey
RKORJKONKLIMLO-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Overview
3-(2,5-dimethyl-1-pyrrolyl)-4-methylaniline is a member of pyrroles.
Names & identifiers
- Preferred name
- 3-(2,5-Dimethyl-pyrrol-1-yl)-4-methyl-phenylamine
- IUPAC
- 3-(2,5-dimethylpyrrol-1-yl)-4-methylaniline
- English name
- 3-(2,5-Dimethyl-pyrrol-1-yl)-4-methyl-phenylamine
- Molecular formula
- C13H16N2
- Molecular weight
- 200.28
Names & synonyms
43070-87-73-(2,5-Dimethyl-pyrrol-1-yl)-4-methyl-phenylamine3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylaniline3-(2,5-dimethylpyrrol-1-yl)-4-methylaniline3-(2,5-dimethylpyrrolyl)-4-methylphenylamineMLS000030176CHEMBL1388953DTXSID70349498CHEBI:123285HMS2404J17MFCD05237256SBB010994
Show more names
TIMTEC-BB SBB0109943-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYL-BENZENAMINEBENZENAMINE, 3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYL-
AKOS000101089SB62280SMR000010348ST080875CS-03594333-(2,5-dimethyl-1-pyrrolyl)-4-methylaniline3-(2,5-dimethylpyrrol-1-yl)-4-methyl-anilineSR-01000323804
Database identifiers
- CAS
43070-87-7- PubChem CID
- 650248
- DTXSID
DTXSID70349498- ChEMBL
CHEMBL1388953- ChEBI
CHEBI:123285
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 367.3 · 367.3±42.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.10(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
Additional notes
DefinitionChEBI: 3-(2,5-dimethyl-1-pyrrolyl)-4-methylaniline is a member of pyrroles.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…