Basic information
- CAS
72906-41-3- Standard SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)O.NC1CCCCC1- InChIKey
HLWVIAJDQFRVMK-ASTDGNLGSA-N- Molecular formula
- C27H52N2O3
- Average molar mass
- 452.7 g/mol
- Monoisotopic mass
- 452.39779352
Names & identifiers
- Preferred name
- Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, compd. with cyclohexanamine (1:1)
- IUPAC
- cyclohexanamine;2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid
Names & synonyms
72906-41-3N-Methyl-N-(1-oxo-9-octadecenyl)glycine cyclohexylamine saltRefChem:143887DTXSID0072643N-Methyl-N-(octadec-9-enoyl)glycine--cyclohexanamine (1/1)
Database identifiers
- CAS
72906-41-3- PubChem CID
- 44153149
- DTXSID
DTXSID0072643
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, compd. with cyclohexanamine (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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