Basic information
- CAS
94042-96-3- Standard SMILES
CCN(CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1- InChIKey
HERJOAJMXZQYDO-UHFFFAOYSA-N- Molecular formula
- C18H31N
- Average molar mass
- 261.4 g/mol
- Monoisotopic mass
- 261.24564999
Names & identifiers
- Preferred name
- 3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline
- IUPAC
- 3,5-ditert-butyl-N,N-diethylaniline
- English name
- 3,5-bis(1,1-dimethylethyl)-N,N-diethylaniline
- Molecular formula
- C18H31N
- Molecular weight
- 261.45
Names & synonyms
3,5-Bis(1,1-dimethylethyl)-N,N-diethylaniline94042-96-3C5YAP96PN5NSC-1512363,5-ditert-butyl-N,N-diethylaniline3,5-di-tert-butyl-n,n-diethylanilineEINECS 301-764-0NSC151236UNII-C5YAP96PN5SCHEMBL2785505DTXSID70240355HERJOAJMXZQYDO-UHFFFAOYSA-N
Show more names
3,5-Bis(tert-butyl)-N,N-diethylaniline
NSC 1512361-diethylamino-3,5-di-t-butyl benzeneNS00039942BENZENAMINE, 3,5-BIS(1,1-DIMETHYLETHYL)-N,N-DIETHYL-
Database identifiers
- CAS
94042-96-3- PubChem CID
- 98595
- DTXSID
DTXSID70240355- UNII
- C5YAP96PN5
- EC Number
- 301-764-0
- Nikkaji
- J349.055F
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 333 · 333.0±31.0 °C(Predicted)
- Density
- 0.889 · 0.889±0.06 g/cm3(Predicted)
- pka
- 6.93 · 6.93±0.39(Predicted)
- FDA UNII
- 5 YAP96PN5 · C5YAP96PN5
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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