Basic information
- CAS
39489-88-8- Standard SMILES
Cc1cccc(Cl)c1NC(=O)CCN1CCC[C@H]2CCCC[C@H]21.Cl- InChIKey
PQEWEYLFTURREY-SSPJITILSA-N- Molecular formula
- C19H28Cl2N2O
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 370.1578689
Names & identifiers
- Preferred name
- N-(2-Chloro-6-methylphenyl)-3-(octahydroquinolin-1(2H)-yl)propanimidic acid--hydrogen chloride (1/1)
- IUPAC
- 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide;hydrochloride
Names & synonyms
39489-88-8DTXSID20960117N-(2-Chloro-6-methylphenyl)-3-(octahydroquinolin-1(2H)-yl)propanimidic acid--hydrogen chloride (1/1)RefChem:1091002DTXCID6013879821(2H)-Quinolinepropanamide, N-(2-chloro-6-methylphenyl)octahydro-, monohydrochloride, cis-cis-N-(2-Chloro-6-methylphenyl)octahydro-1(2H)-quinolinepropanamide monohydrochlorideN-(2-Chloro-6-methylphenyl)-3-[(4aR,8aR)-octahydroquinolin-1(2H)-yl]propanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
39489-88-8- PubChem CID
- 217699
- DTXSID
DTXSID20960117
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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