2,4,6-Tri(propan-2-yl)aniline
Basic information
- CAS
21524-36-7- Standard SMILES
CC(C)c1cc(C(C)C)c(N)c(C(C)C)c1- InChIKey
FQFPALKHIHTSNY-UHFFFAOYSA-N- Molecular formula
- C15H25N
- Average molar mass
- 219.37 g/mol
- Monoisotopic mass
- 219.1986998
Names & identifiers
- Preferred name
- 2,4,6-Tri(propan-2-yl)aniline
- IUPAC
- 2,4,6-tri(propan-2-yl)aniline
- English name
- Benzenamine, 2,4,6-tris(1-methylethyl)-
- Molecular formula
- C15H25N
- Molecular weight
- 219.37
Names & synonyms
2,4,6-tri(propan-2-yl)aniline2,4,6-Tris(1-methylethyl)benzenamineEC 800-008-1DTXSID801290939RefChem:442852DTXCID501721543800-008-12,4,6-triisopropylaniline21524-36-7benzenamine, 2,4,6-tris(1-methylethyl)-2,4,6-tris(propan-2-yl)anilineMFCD00560170
Show more names
ChemDiv3_001152SCHEMBL140258SCHEMBL3440745Aniline, 2,4,6-triisopropyl-(2,4,6-triisopropylphenyl)amineFQFPALKHIHTSNY-UHFFFAOYSA-NHMS1476E08AKOS001603207
Database identifiers
- CAS
21524-36-7- PubChem CID
- 519871
- DTXSID
DTXSID801290939- EC Number
- 800-008-1
- Nikkaji
- J2.152.416F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 158 · 158-160 °C(Press: 18 Torr)
- Density
- 0.9107 g/cm3 · 0.9107 g/cm3(Temp: 25 °C)
- pka
- 4.65 · 4.65±0.10(Predicted)
- InChI
- 1S/C15H25N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3
- SMILES
- Nc1c(cc(cc1C(C)C)C(C)C)C(C)C
- UNSPSC Code
- 12352114 · 12352114
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2,4,6-tri(propan-2-yl)aniline (EC: 800-008-1)
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
- REACH Registrations
- Active
Related reactions
3 records
Compound notes
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