Basic information
- CAS
381202-58-0- Standard SMILES
Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1N- InChIKey
OBKZEVMWVGYNFV-UHFFFAOYSA-N- Molecular formula
- C17H20N4
- Average molar mass
- 280.37 g/mol
- Monoisotopic mass
- 280.16879665
Overview
2-methyl-5-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)aniline is a member of pyrroles.
Names & identifiers
- Preferred name
- 2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
- IUPAC
- 2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
- English name
- 2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)Benzenamine
- Molecular formula
- C17H20N4
- Molecular weight
- 280.37
Names & synonyms
381202-58-02-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline2-methyl-5-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline2-Methyl-5-(1,4,5,7-tetramethyl-pyrrolo-[3,4-d]pyridazin-6-yl)-phenylamine2-methyl-5-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)anilineZINC00093430Oprea1_280978Oprea1_670929MLS000718227SCHEMBL8361380CHEMBL1432108CHEBI:105081
Show more names
2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)BenzenamineBenzenamine, 2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)-
DTXSID001322457CCG-18942MFCD02735988STK066133AKOS000562062DA-06290SMR000279995CS-0314836
Database identifiers
- CAS
381202-58-0
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility27.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 565.3 · 565.3±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 5.1 · 5.10±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
德拜科技有限公司00852-2521 1836
MATRIX[email protected]
Additional notes
DefinitionChEBI: 2-methyl-5-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)aniline is a member of pyrroles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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