1-(2,2,4-trimethyl-3,4-dihydroquinolin-l (2H)-yl)ethanone
Basic information
- CAS
4497-59-0- Standard SMILES
CC(=O)N1c2ccccc2C(C)CC1(C)C- InChIKey
DICCKTLYSLKYNN-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 1-(2,2,4-trimethyl-3,4-dihydroquinolin-l (2H)-yl)ethanone
- IUPAC
- 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
- English name
- 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
- Molecular formula
- C14H19NO
- Molecular weight
- 217.31
Names & synonyms
4497-59-0RefChem:4201751-(2,2,4-trimethyl-3,4-dihydroquinolin-l (2H)-yl)ethanone855-228-01-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone1-acetyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline1-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethanoneSCHEMBL10598624SCHEMBL29899955DTXSID001377652STK001775AKOS000645912
Show more names
Ethanone, 1-(3,4-dihydro-2,2,4-trimethyl-1(2H)-quinolinyl)-
AKOS022077404CCG-112007ST032768EU-0044906AG-690/36546012SR-01000493226SR-01000493226-1BRD-A06111749-001-01-0
Database identifiers
- CAS
4497-59-0- PubChem CID
- 2835201
- DTXSID
DTXSID001377652- EC Number
- 855-228-0
- Nikkaji
- J3.791.716H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 295.6 ℃ · 295.6℃ at 101.33kPa
- Density
- 1.15 at · 1.15 at 20℃
- vapor pressure
- 0.021 · 0.021-0.042Pa at 20-25℃
- form
- Solid:particulate/powder
- pka
- 1.332 · 1.332±0.60(predicted)
- LogP
- 3.6 at · 3.6 at 25℃ and pH7
- Surface tension
- 60.3 mN/m · 60.3mN/m at 69mg/L and 20℃
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 1-(2,2,4-trimethyl-3,4-dihydroquinolin-l (2H)-yl)ethanone (EC: 855-228-0)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H302-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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