2-Amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Basic information
- CAS
164026-59-9- Standard SMILES
N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1)CCCC2- InChIKey
ACWNROPVQQXFAO-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3
- Average molar mass
- 283.75 g/mol
- Monoisotopic mass
- 283.0876252
Names & identifiers
- Preferred name
- 2-Amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- BUTTPARK 125\40-79
- Molecular formula
- C16H14ClN3
- Molecular weight
- 283.76
Names & synonyms
164026-59-92-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrileDTXSID70352886RefChem:255497DTXCID30303950Maybridge3_002730HMS1438M02Cambridge id 5581025Oprea1_228587SCHEMBL31120389CCG-46115MFCD00981477
Show more names
BUTTPARK 125\40-79CHEMBRDG-BB 55810253-Quinolinecarbonitrile, 2-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-
STK095574AKOS005203240IDI1_014117NCGC00276653-01AB01277093-01SR-01000635832-12-Amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Database identifiers
- CAS
164026-59-9- PubChem CID
- 735935
- DTXSID
DTXSID70352886
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 258 · 258-259 °C(Solv: 1,4-dioxane (123-91-1); water (7732-18-5))
- Boiling point
- 497.9 · 497.9±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.20(Predicted)
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Compound notes
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