2,4-Di-tert-butylaniline
Basic information
- CAS
2909-84-4- Standard SMILES
CC(C)(C)c1ccc(N)c(C(C)(C)C)c1- InChIKey
PWGOAQYJIYOGBG-UHFFFAOYSA-N- Molecular formula
- C14H23N
- Average molar mass
- 205.34 g/mol
- Monoisotopic mass
- 205.18304974
Names & identifiers
- Preferred name
- 2,4-Di-tert-butylaniline
- IUPAC
- 2,4-ditert-butylaniline
- English name
- 2,4-Di-tert-butylaniline
- Molecular formula
- C14H23N
- Molecular weight
- 205.34
Names & synonyms
2,4-di-tert-butylaniline2909-84-42,4-ditert-butylaniline2,4-di-tert-Butyl anilineMFCD02683807(2,4-di-tert-butylphenyl)amine hydrochlorideBenzenamine, 2,4-bis(1,1-dimethylethyl)-2,4-di-tert-butyl-phenylamineAKOS BC-0699Aniline, 2,4-di-tert-butyl-SCHEMBL22010862,4-bis(tert-butyl)phenylamine
Show more names
DTXSID30334340ALBB-013707SBB093530AKOS004120291FD671342,4-bis(1,1-dimethylethyl)benzenamineAS-58146SY297209
Database identifiers
- CAS
2909-84-4- PubChem CID
- 520408
- DTXSID
DTXSID30334340- Nikkaji
- J1.880.274K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 18.5 · 18.5-19 °C
- Boiling point
- 140 · 140-141 °C(Press: 13 Torr)
- Density
- 0.9176 g/cm3 · 0.9176 g/cm3(Temp: 25 °C)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.11 · 4.11±0.10(Predicted)
- InChI
- InChI=1S/C14H23N/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9H,15H2,1-6H3
- InChIKey
- PWGOAQYJIYOGBG-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(C(C)(C)C)C=C1C(C)(C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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