Basic information
- CAS
102489-53-2- Standard SMILES
CCCCCCCCN(CC[NH+](CC)CC)CC(=O)Nc1c(C)cccc1Cl.[Cl-]- InChIKey
HHYZSQFKJRAXII-UHFFFAOYSA-N- Molecular formula
- C23H41Cl2N3O
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 445.2626683
Names & identifiers
- Preferred name
- o-Acetotoluidide, 6'-chloro-2-((2-(diethylamino)ethyl)octylamino)-, hydrochloride
- IUPAC
- 2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]-octylamino]ethyl-diethylazanium chloride
Names & synonyms
C 5347102489-53-26'-Chloro-2-((2-(diethylamino)ethyl)octylamino)-o-acetotoluidide hydrochlorideo-Acetotoluidide, 6'-chloro-2-((2-(diethylamino)ethyl)octylamino)-, hydrochlorideRefChem:366339
Database identifiers
- CAS
102489-53-2- PubChem CID
- 59376
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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