Basic information
- CAS
22041-22-1- Standard SMILES
COC(=O)CCCN(C)C- InChIKey
ZJEZSISCHHJCIO-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- Butanoic acid, 4-(dimethylamino)-, methyl ester
- IUPAC
- methyl 4-(dimethylamino)butanoate
- English name
- 4-(Dimethylamino)butyric acid methyl ester
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
22041-22-1RefChem:1080341Butanoic acid, 4-(dimethylamino)-, methyl estermethyl 4-(dimethylamino)butanoateMethyl 4-(dimethylamino)butyrateBRN 1752007Butyric acid, 4-(dimethylamino)-, methyl esterSCHEMBL713902DTXSID70944644ZJEZSISCHHJCIO-UHFFFAOYSA-N0-04-00-00413 (Beilstein Handbook Reference)4-(Dimethylamino)butyric acid methyl ester
Database identifiers
- CAS
22041-22-1- PubChem CID
- 210997
- DTXSID
DTXSID70944644- Nikkaji
- J83.132H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 172.6 · 172.6±23.0 °C(Predicted)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- pka
- 9.17 · 9.17±0.28(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
3 records
Compound notes
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