N-[(3-butoxy-2-hydroxypropyl)-dimethylazaniumyl]-2-methylprop-2-enimidate
Basic information
- CAS
52352-15-5- Standard SMILES
C=C(C)C([O-])=N[N+](C)(C)CC(O)COCCCC- InChIKey
KUYVUHUIOQDCLK-UHFFFAOYSA-N- Molecular formula
- C13H26N2O3
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.1943427
Overview
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Names & identifiers
- Preferred name
- N-[(3-butoxy-2-hydroxypropyl)-dimethylazaniumyl]-2-methylprop-2-enimidate
- IUPAC
- N-[(3-butoxy-2-hydroxypropyl)-dimethylazaniumyl]-2-methylprop-2-enimidate
Database identifiers
- CAS
52352-15-5- PubChem CID
- 104167
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
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Compound notes
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