Basic information
- CAS
1155159-51-5- Standard SMILES
COC(=O)CC(C)NCC(C)(C)CN(C)C- InChIKey
RYGQMRWFAOZJBR-UHFFFAOYSA-N- Molecular formula
- C12H26N2O2
- Average molar mass
- 230.35 g/mol
- Monoisotopic mass
- 230.19942808
Names & identifiers
- Preferred name
- Butanoic acid, 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-, methyl ester
- IUPAC
- methyl 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]butanoate
Names & synonyms
DTXSID101139578Butanoic acid, 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-, methyl ester1155159-51-5Methyl 3-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}butanoate
Database identifiers
- CAS
1155159-51-5- PubChem CID
- 43536627
- DTXSID
DTXSID101139578
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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