1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt
Basic information
- CAS
96-55-9- Standard SMILES
CCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C- InChIKey
ZVZRHYNDLMSKIV-UHFFFAOYSA-N- Molecular formula
- C15H31NO2
- Average molar mass
- 257.41 g/mol
- Monoisotopic mass
- 257.23547923
Names & identifiers
- Preferred name
- 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt
- IUPAC
- 2-(trimethylazaniumyl)dodecanoate
Names & synonyms
1-Undecanaminium, 1-carboxy-N,N,N-trimethyl-, inner saltRefChem:4368812-(trimethylazaniumyl)dodecanoate(1-Carboxylatoundecyl)trimethylammonium1-Undecanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner saltEINECS 202-514-2SCHEMBL117777DTXSID60914699ZVZRHYNDLMSKIV-UHFFFAOYSA-NNS00040999
Database identifiers
- CAS
96-55-9- PubChem CID
- 101563
- DTXSID
DTXSID60914699- Nikkaji
- J210.586A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 216
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Compound notes
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