2-tert-butyl-N-ethylaniline
Basic information
- CAS
75031-45-7- Standard SMILES
CCNc1ccccc1C(C)(C)C- InChIKey
FFEJLRPCIUMIBB-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 2-tert-butyl-N-ethylaniline
- IUPAC
- 2-tert-butyl-N-ethylaniline
- English name
- 2-tert-butyl-N-ethylaniline
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
2-tert-butyl-N-ethylaniline75031-45-7RefChem:483670964-849-7Aniline, 2-tert-butyl-N-ethyl-2-tert-butyl-N-ethyl-anilineSCHEMBL13159633ADA03145AKOS009049056CS-0264651EN300-93689G58188
Show more names
Benzenamine, 2-(1,1-dimethylethyl)-N-ethyl-
Z445301988
Database identifiers
- CAS
75031-45-7- PubChem CID
- 522571
- EC Number
- 964-849-7
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 263.8 · 263.8±19.0 °C(Predicted)
- Density
- 0.922 · 0.922±0.06 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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