Butetamate
Basic information
- CAS
14007-64-8- Standard SMILES
CCC(C(=O)OCCN(CC)CC)c1ccccc1- InChIKey
CKWHSYRZDLWQFV-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Overview
Butetamate is an alkylbenzene.
Names & identifiers
- Preferred name
- Butetamate
- IUPAC
- 2-(diethylamino)ethyl 2-phenylbutanoate
- English name
- butetamate
- Molecular formula
- C16H25NO2
- Molecular weight
- 263.38
Names & synonyms
ButetamateButethamate14007-64-8ButetamatoButetamatumButetamate [INN]Butetamate [INN:BAN]DTXSID8045640Butetamatum [INN-Latin]HH105Butetamato [INN-Spanish]UNII-2VO6TC90PU
Show more names
CKWHSYRZDLWQFV-UHFFFAOYSA-N2-(diethylamino)ethyl 2-phenylbutanoateButethamate (base and/or unspecified salts)2-phenyl-butyric acid-(2-diethylamino-ethyl ester)Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester
2VO6TC90PUHH-105Butetamate (INN)2-(Diethylamino)ethyl 2-phenylbutyrateBUTETHAMATE [MI]EINECS 237-817-9BUTETAMATE [WHO-DD]DTXCID6025640
Database identifiers
- CAS
14007-64-8- PubChem CID
- 27368
- DTXSID
DTXSID8045640- ChEMBL
CHEMBL1623049- ChEBI
CHEBI:135086- UNII
- 2VO6TC90PU
- EC Number
- 237-817-9
- Nikkaji
- J8.470K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 11 · bp11 167-169°
- Density
- 0.9903 · 0.9903 (rough estimate)
- refractive index
- 20 · nD20 1.4909
- pka
- 9.22 · 9.22±0.25(Predicted)
- FDA UNII
- 2 VO6TC90PU · 2VO6TC90PU
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzeneacetic acid, .alpha.-ethyl-, 2-(diethylamino)ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Butetamate is an alkylbenzene.
Suppliers
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Related reactions
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Compound notes
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