Phenanthridinium, 3,8-diamino-5-ethyl-6-undecyl-, bromide
Basic information
- CAS
65557-68-8- Standard SMILES
CCCCCCCCCCCc1c2cc(N)ccc2c2ccc(N)cc2[n+]1CC.[Br-]- InChIKey
ZICIWARMMZECFI-UHFFFAOYSA-N- Molecular formula
- C26H38BrN3
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 471.22491
Names & identifiers
- Preferred name
- Phenanthridinium, 3,8-diamino-5-ethyl-6-undecyl-, bromide
- IUPAC
- 5-ethyl-6-undecylphenanthridin-5-ium-3,8-diamine bromide
Names & synonyms
Phenanthridinium, 3,8-diamino-5-ethyl-6-undecyl-, bromide
Database identifiers
- CAS
65557-68-8- PubChem CID
- 149276
Properties
Computed structural properties
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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