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Home > Quinoline > 860611-69-4
860611-69-4 | 4-butyl-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 860611-69-4 Catalog No: AG00IT4P MDL No:MFCD04124163
Product Description
Catalog Number:
AG00IT4P
Chemical Name:
4-butyl-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
860611-69-4
Molecular Formula:
C17H24N2O
Molecular Weight:
272.3853
MDL Number:
MFCD04124163
IUPAC Name:
4-butyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C17H24N2O/c1-5-6-7-12-13(10-18)11(2)19-14-8-17(3,4)9-15(20)16(12)14/h12,19H,5-9H2,1-4H3
InChI Key:
PYVKIQMLTVKMHS-UHFFFAOYSA-N
SMILES:
CCCCC1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.392g/mol
Monoisotopic Mass:
272.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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