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3-(3-Cyclohexylpropyl)-2,4-quinolinediol 5427-45-2 CAS NO.5427-45-2
- Min.Order: 1 Gram
- Payment Terms: L/C,T/T
- Product Details
Keywords
- 3-(3-Cyclohexylpropyl)-2,4-quinolinediol
- 5427-45-2
- 98%
Quick Details
- ProName: 3-(3-Cyclohexylpropyl)-2,4-quinolinedi...
- CasNo: 5427-45-2
- Molecular Formula: C18H23NO2
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: according to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
【Name】
3-(3-cyclohexylpropyl)-2-hydroxyquinolin-4(1H)-one
【CAS Registry number】
5427-45-2
【Molecular Formula】
C18H23NO2 (Products with the same molecular formula)
【Molecular Weight】
285.3807
【Inchi】
InChI=1/C18H23NO2/c20-17-14-10-4-5-12-16(14)19-18(21)15(17)11-6-9-13-7-2-1-3-8-13/h4-5,10,12-13H,1-3,6-9,11H2,(H2,19,20,21)
【Canonical SMILES】
C1CCC(CC1)CCCC2=C(NC3=CC=CC=C3C2=O)O
【Isomers smiles】
C1CCC(CC1)CCCC2=C(NC3=CC=CC=C3C2=O)O
【MOL File】
5427-45-2.mol
Chemical and Physical Properties
【Density】
1.134g/cm3
【Boiling Point】
432.8°C at 760 mmHg
【Refractive Index】
1.571
【Flash Point】
215.6°C
【Computed Properties】
Molecular Weight:285.38072 [g/mol]
Molecular Formula:C18H23NO2
XLogP3-AA:5.5
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:15
Exact Mass:285.172879
MonoIsotopic Mass:285.172879
Topological Polar Surface Area:49.3
Heavy Atom Count:21
Formal Charge:0
Complexity:409
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:5.2
Conformer Sampling RMSD:0.8
CID Conformer Count:28