Basic information
- CAS
28028-10-6- Standard SMILES
C[NH+](C)C1(C(N)=O)CC[NH+](CCCN2c3ccccc3C(C)(C)c3ccccc32)CC1.[Cl-].[Cl-]- InChIKey
DSZQLOMFFZFCEO-UHFFFAOYSA-N- Molecular formula
- C26H38Cl2N4O
- Average molar mass
- 493.5 g/mol
- Monoisotopic mass
- 492.2422672
Names & identifiers
- Preferred name
- Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-(dimethylamino)-, hydrochloride, hydrate (4:8:1)
- IUPAC
- [4-carbamoyl-1-[3-(9,9-dimethylacridin-10-yl)propyl]piperidin-1-ium-4-yl]-dimethylazanium dichloride
Names & synonyms
28028-10-6Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-(dimethylamino)-, hydrochloride, hydrate (4:8:1)RefChem:349715
Database identifiers
- CAS
28028-10-6- PubChem CID
- 34115
Properties
Computed structural properties
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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