2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine
Basic information
- CAS
5180-59-6- Standard SMILES
CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1N- InChIKey
FHEAFSAWXGUQGP-UHFFFAOYSA-N- Molecular formula
- C14H22N2O2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.16812795
Names & identifiers
- Preferred name
- 2,6-Bis(1,1-dimethylethyl)-4-nitrobenzenamine
- IUPAC
- 2,6-ditert-butyl-4-nitroaniline
- English name
- 2,6-Ditert-butyl-4-nitroaniline
- Molecular formula
- C14H22N2O2
- Molecular weight
- 250.34
Names & synonyms
5180-59-62,6-BIS(1,1-DIMETHYLETHYL)-4-NITROBENZENAMINEDTXSID20199743RefChem:247996DTXCID801222342,6-ditert-butyl-4-nitroaniline2,6-di-tert-butyl-4-nitroanilineBenzenamine, 2,6-bis(1,1-dimethylethyl)-4-nitro-Oprea1_120261SCHEMBL5162979SCHEMBL7933060FHEAFSAWXGUQGP-UHFFFAOYSA-N
Show more names
SBB1007792,6-bis(tert-butyl)-4-nitrophenylamineAE-562/12222748
Database identifiers
- CAS
5180-59-6- PubChem CID
- 21246
- DTXSID
DTXSID20199743- Nikkaji
- J1.554.527E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 256 °C · 256 °C
- Boiling point
- 337.8 · 337.8±37.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- -0.7 · -0.70±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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