Ethyl 4-(dimethylamino)butyrate
Basic information
- CAS
22041-23-2- Standard SMILES
CCOC(=O)CCCN(C)C- InChIKey
FNOBLETXVSZOGS-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- Ethyl 4-(dimethylamino)butyrate
- IUPAC
- ethyl 4-(dimethylamino)butanoate
- English name
- Ethyl 4-(dimethylamino)butanoate
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
Ethyl 4-(dimethylamino)butanoate22041-23-2Ethyl 4-(dimethylamino)butyrateButanoic acid, 4-(dimethylamino)-, ethyl esterKL1P3VC64FEthyl-gamma-dimethylaminobutyrateDF 491NSC 40246NSC-40246UNII-KL1P3VC64FBRN 1756820BUTYRIC ACID, 4-(DIMETHYLAMINO)-, ETHYL ESTER
Show more names
4-(Dimethylamino)butyric acid ethyl ester
DTXSID00176517ETHYL N,N-DIMETHYL-4-AMINOBUTANOATE3-04-00-01317 (Beilstein Handbook Reference)RefChem:138741DTXCID7099008Butanoic acid, 4-(dimethylamino)-, ethyl ester (9CI)SCHEMBL4618714SCHEMBL29042249
Database identifiers
- CAS
22041-23-2- PubChem CID
- 30904
- DTXSID
DTXSID00176517- UNII
- KL1P3VC64F
- Nikkaji
- J42.782I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 79 °C · 79 °C(Press: 20 Torr)
- Density
- 0.9187 g/cm3 · 0.9187 g/cm3(Temp: 13.6 °C)
- pka
- 9.4 · 9.40±0.28(Predicted)
- FDA UNII
- 1 P3VC64F · KL1P3VC64F
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302+H312+H332-H314
- Precautionary statements
- 260 · P260-P301+P312-P280
- HS Code
- 2922498590 · 2922498590
- Toxicity
- 50 · mouse,LD50,intravenous,300mg/kg (300mg/kg),Archives Internationales de Pharmacodynamie et de Therapie. Vol. 145, Pg. 233, 1963.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922498590
- Toxicity
- mouse,LD50,intravenous,300mg/kg (300mg/kg),Archives Internationales de Pharmacodynamie et de Therapie. Vol. 145, Pg. 233, 1963.
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H335-H302+H312+H332-H314
- Precautionary statements
- P260-P301+P312-P280
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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