3,4-dimethyl-N-[(4-nitrophenyl)methyl]aniline
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Basic information
- CAS
355816-01-2- Standard SMILES
Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1C- InChIKey
SJUSWTVGSJPELZ-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
Names & identifiers
- Preferred name
- 3,4-dimethyl-N-[(4-nitrophenyl)methyl]aniline
- IUPAC
- 3,4-dimethyl-N-[(4-nitrophenyl)methyl]aniline
- English name
- 3,4-dimethyl-N-(4-nitrobenzyl)aniline
- Molecular formula
- C15H16N2O2
- Molecular weight
- 256.3
Names & synonyms
3,4-dimethyl-N-[(4-nitrophenyl)methyl]aniline3,4-dimethyl-N-(4-nitrobenzyl)anilineCambridge id 5550113Oprea1_049114Oprea1_283925SCHEMBL531299STK145636AKOS000254220ST45135742AB00088593-01(3,4-dimethylphenyl)[(4-nitrophenyl)methyl]amineAG-690/12620027
Show more names
Benzenemethanamine, N-(3,4-dimethylphenyl)-4-nitro-
N-(3,4-DIMETHYLPHENYL)-N-(4-NITROBENZYL)AMINE355816-01-2
Database identifiers
- CAS
355816-01-2
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 424.6 · 424.6±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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