Basic information
- CAS
1092-46-2- Standard SMILES
CCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C- InChIKey
UXAWFWFJXIANHZ-UHFFFAOYSA-N- Molecular formula
- C18H29NO2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.21982917
Overview
A 2337 contains 10% ketocaine; structure
Names & identifiers
- Preferred name
- Ketocaine
- IUPAC
- 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]butan-1-one
- English name
- ketocaine
- Molecular formula
- C18H29NO2
- Molecular weight
- 291.432
Names & synonyms
Ketocaine1092-46-2KetocainumketocainaWA1RT89G9X2'-(2-(Diisopropylamino)ethoxy)butyrophenoneDTXSID908625331-Butanone, 1-(2-(2-(bis(1-1-methylethyl)amino)ethoxy)phenyl)-RefChem:151138DTXCID708112811-(2-(2-(bis(1-methylethyl)amino)ethoxy)phenyl)-1-butanone214-131-8
Show more names
ketocaine HCl1-[2-[2-(diisopropylamino)ethoxy]phenyl]butan-1-one1-{2-[2-(Diisopropylamino)ethoxy]phenyl}-1-butanone1-Butanone, 1-[2-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-
Ketocaine [INN]Rec 7-05181-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]butan-1-oneChetocainaCetocainaChetocaina [DCIT]Ketocainum [INN-Latin]Cetocaina [INN-Spanish]
Database identifiers
- CAS
1092-46-2- PubChem CID
- 68946
- DTXSID
DTXSID90862533- ChEMBL
CHEMBL2107306
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 386.3 · 386.3±22.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 9.75 · 9.75±0.28(Predicted)
- FDA UNII
- 1 RT89G9X · WA1RT89G9X
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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]
P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Ketocaine (EC: 214-131-8)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesKetocaine is a butyrophenone derivative used topically for pain relief.
Suppliers8 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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