C19H33N2.Cl.H2O
Basic information
- CAS
64058-31-7- Standard SMILES
C(=CC=[N+]1CCCCCCC1)C=CN1CCCCCCC1.[Cl-]- InChIKey
UVJDTSQDYNCCLT-UHFFFAOYSA-M- Molecular formula
- C19H33ClN2
- Average molar mass
- 324.9 g/mol
- Monoisotopic mass
- 324.2332268
Overview
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Names & identifiers
- Preferred name
- C19H33N2.Cl.H2O
- IUPAC
- 1-[5-(azocan-1-ium-1-ylidene)penta-1,3-dienyl]azocane chloride
Names & synonyms
C19H33N2.Cl.H2ODTXSID809824911-[5-(Azocan-1-yl)penta-2,4-dien-1-ylidene]azocan-1-ium chloride
Database identifiers
- CAS
64058-31-7- PubChem CID
- 47158
- DTXSID
DTXSID80982491
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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