4-Tert-butyl-2,6-dimethylaniline
Basic information
- CAS
42014-60-8- Standard SMILES
Cc1cc(C(C)(C)C)cc(C)c1N- InChIKey
CHHGWEBJQVWINZ-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 4-Tert-butyl-2,6-dimethylaniline
- IUPAC
- 4-tert-butyl-2,6-dimethylaniline
- English name
- 4-(tert-Butyl)-2,6-dimethylaniline
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
42014-60-84-tert-butyl-2,6-dimethylanilineDTXSID70361190RefChem:296379DTXCID903122404-(Tert-Butyl)-2,6-DimethylanilineMFCD00052181SCHEMBL22314804-(tert-Butyl)-26-dimethylaniline2,6-dimethyl-4-tertiary-butylanilineCS-W006270C75124
Show more names
2,6-Dimethyl- 4-tert-butyl-aniline4-tert-butyl-2,6-dimethyl-benzeneamine4-(tert-Butyl)-2,6-dimethylaniline 98%Benzenamine, 4-(1,1-dimethylethyl)-2,6-dimethyl-2-Amino-5-(tert-butyl)-m-xylene, 4-(tert-Butyl)-2,6-xylidine
AC-082/115760744-(tert-butyl)-2,6-dimethylphenylamine2,6-dimethyl-4-tert-butylanilineCHEMBL16257982,6dimethyl-4-tert-butylanilineSBB0517724-tert-butyl-2,6-dimethylbenzenamineAKOS006228035
Database identifiers
- CAS
42014-60-8- PubChem CID
- 1229697
- DTXSID
DTXSID70361190- ChEMBL
CHEMBL1625798- EC Number
- 108-468-9
- Nikkaji
- J1.394.937I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 29 · 29-29.5 °C
- Boiling point
- 96 °C · 96 °C
- Density
- 0.9321 g/cm3 · 0.9321 g/cm3(Temp: 25 °C)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 4.63 · 4.63±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- CAS DataBase Reference
- 42014 · 42014-60-8(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P311
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · 2810
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- ridadr
- 2810
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- Ⅱ
- Hazard statements
- H302+H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P311
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
7 records
Compound notes
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