Basic information
- Standard SMILES
CCOc1ccc2c(c1)C(C)CC(C)(C)N2- InChIKey
YLDDCEXDGNXCIO-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- 6-ethoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
- English name
- 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
16489-90-06-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline6-Ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinolineDTXSID6042365U6ZL4JO667DIHYDROETHOXYQUINEINECS 240-546-96-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinolineDTXCID40223651,2,3,4-Tetrahydro-2,2,4-trimethyl-6-ethoxyquinoline2,2,4-trimethyl-6-ethoxy-1,2,3,4-tetrahydroquinolineRefChem:542949
Show more names
6-Ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline,97%6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrobromide
Quinoline, 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-ethoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinolinequinoline, 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethyl-, hydrobromideDihydro-ethoxyquinMFCD00006694Ethoxyquin-3,4-dihydroChemDiv2_002483UNII-U6ZL4JO667
Database identifiers
- CAS
16489-90-0- PubChem CID
- 86013
- DTXSID
DTXSID6042365- ChEMBL
CHEMBL176666- UNII
- U6ZL4JO667
- EC Number
- 240-546-9
- Nikkaji
- J236.492A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 38 · 38-39 °C(Solv: hexane (110-54-3))
- Boiling point
- 122 °C · 122 °C(Press: 2 Torr)
- Density
- 0.948 · 0.948±0.06 g/cm3(Predicted)
- pka
- 6.16 · 6.16±0.60(Predicted)
- FDA UNII
- 6 ZL4JO667 · U6ZL4JO667
- EPA Substance Registry System
- 6 · Quinoline, 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethyl- (16489-90-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HazardClass
- IRRITANT
Safety & regulation
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 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Linked notes
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