2-(Heptadeca-8,11-dienyl)-4,5-dihydro-1H-imidazole-1-ethylamine monoacetate
Basic information
- CAS
94138-76-8- Standard SMILES
CC(=O)O.CCCCC/C=C/C/C=C/CCCCCCCC1=NCCN1CCN- InChIKey
NOADRHRCJOCASA-JRYFSKGNSA-N- Molecular formula
- C24H45N3O2
- Average molar mass
- 407.6 g/mol
- Monoisotopic mass
- 407.35117769
Overview
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Names & identifiers
- Preferred name
- 2-(Heptadeca-8,11-dienyl)-4,5-dihydro-1H-imidazole-1-ethylamine monoacetate
- IUPAC
- acetic acid;2-[2-[(8E,11E)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethanamine
Names & synonyms
EINECS 302-991-894138-76-82-(Heptadeca-8,11-dienyl)-4,5-dihydro-1H-imidazole-1-ethylamine monoacetateNOADRHRCJOCASA-JRYFSKGNSA-N
Database identifiers
- CAS
94138-76-8- PubChem CID
- 44153127
- EC Number
- 302-991-8
Properties
Computed structural properties
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
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Compound notes
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