Basic information
- CAS
797806-96-3- Standard SMILES
Cc1cc(N)ccc1-n1c(C)ccc1C- InChIKey
LAXJDTOMMNRYAE-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylaniline
- IUPAC
- 4-(2,5-dimethylpyrrol-1-yl)-3-methylaniline
- English name
- Benzenamine, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl- (9CI)
- Molecular formula
- C13H16N2
- Molecular weight
- 200.28
Names & synonyms
797806-96-34-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylaniline4-(2,5-Dimethyl-pyrrol-1-yl)-3-methyl-phenylamine4-(2,5-dimethylpyrrol-1-yl)-3-methylaniline4-(2,5-dimethylpyrrol-1-yl)-3-methyl-anilineSMR000010347MLS000071069CHEMBL1517255DTXSID00349522HMS2428D18BBL025904MFCD05237255
Show more names
Benzenamine, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-Benzenamine, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl- (9CI)
STL368604AKOS000101312SB62266VS-08140CS-0317162ST500086004-(2,5-dimethylpyrrolyl)-3-methylphenylamineSR-01000323552
Database identifiers
- CAS
797806-96-3- PubChem CID
- 651208
- DTXSID
DTXSID00349522- ChEMBL
CHEMBL1517255
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
- 355.9 · 355.9±42.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.10(Predicted)
- 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_class
- IRRITANT
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
成都艾娜华化学制剂有限公司028-86612776; 13699069380 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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