Basic information
- CAS
68339-71-9- Standard SMILES
CC1CCc2ccccc2N1C(N)=Nc1ccccc1.Cl- InChIKey
XJADTETVQJEKIG-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3
- Average molar mass
- 301.8 g/mol
- Monoisotopic mass
- 301.1345753
Names & identifiers
- Preferred name
- 1(2H)-Quinolinecarboximidamide, 3,4-dihydro-2-methyl-N-phenyl-, monohydrochloride
- IUPAC
- 2-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
Names & synonyms
68339-71-91(2H)-Quinolinecarboximidamide, 3,4-dihydro-2-methyl-N-phenyl-, monohydrochlorideRefChem:10514403,4-Dihydro-2-methyl-N-phenyl-1(2H)-quinolinecarboximidamide monohydrochloride1,2,3,4-Tetrahydroquinaldine-1-(N'-phenyl)carboxamidine hydrochlorideMLS000660754CHEMBL1583894DTXSID309878752-methyl-N'-phenyl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochlorideSMR000310272SR-01000537233SR-01000537233-1
Show more names
2-methyl-N-phenyl-3,4-dihydroquinoline-1(2H)-carboximidamide2-Methyl-N-phenyl-3,4-dihydroquinoline-1(2H)-carboximidamide--hydrogen chloride (1/1)
Database identifiers
- CAS
68339-71-9- PubChem CID
- 3052007
- DTXSID
DTXSID30987875- ChEMBL
CHEMBL1583894
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Solubility>45.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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