Basic information
- CAS
1097786-19-0- Standard SMILES
Cc1ccc(N(C)Cc2ccccc2)c(N)c1- InChIKey
TYRYDQLDGFJNIC-UHFFFAOYSA-N- Molecular formula
- C15H18N2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.14699858
Names & identifiers
- Preferred name
- N~1~-Benzyl-N~1~,4-dimethyl-1,2-benzenediamine
- IUPAC
- 1-N-benzyl-1-N,4-dimethylbenzene-1,2-diamine
- English name
- N~1~-Benzyl-N~1~,4-dimethyl-1,2-benzenediamine
- Molecular formula
- C15H18N2
- Molecular weight
- 226.32
Names & synonyms
1097786-19-0N~1~-Benzyl-N~1~,4-dimethyl-1,2-benzenediamineN1-Benzyl-N1,4-dimethylbenzene-1,2-diamine1-N-benzyl-1-N,4-dimethylbenzene-1,2-diamineAKOS009357606SB797361,2-Benzenediamine, N1,4-dimethyl-N1-(phenylmethyl)-
Database identifiers
- CAS
1097786-19-0- PubChem CID
- 43349390
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 392.6 · 392.6±37.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 6.98 · 6.98±0.50(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
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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