Basic information
- CAS
33598-36-6- Standard SMILES
COC(=O)CC(C)N(C)C- InChIKey
KQYAKXSGEDRRKF-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- Methyl 3-(Dimethylamino)butanoate
- IUPAC
- methyl 3-(dimethylamino)butanoate
- English name
- methyl 3-(dimethylamino)butanoate
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
Methyl 3-(Dimethylamino)butanoate33598-36-6SCHEMBL9774513Methyl3-(Dimethylamino)butanoateDTXSID501299544Butanoic acid, 3-(dimethylamino)-, methyl ester
Database identifiers
- CAS
33598-36-6- PubChem CID
- 10240937
- DTXSID
DTXSID501299544
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 166.2 · 166.2±23.0 °C(Predicted)
- Density
- 0.935 · 0.935±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.50(Predicted)
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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