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870888-44-1 | 1-Naphthalenecarbonitrile, 4-(2,6-dimethyl-4-morpholinyl)-
CAS No: 870888-44-1 Catalog No: AG004LKR MDL No:
Product Description
Catalog Number:
AG004LKR
Chemical Name:
1-Naphthalenecarbonitrile, 4-(2,6-dimethyl-4-morpholinyl)-
CAS Number:
870888-44-1
Molecular Formula:
C17H18N2O
Molecular Weight:
266.3376
IUPAC Name:
4-(2,6-dimethylmorpholin-4-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C17H18N2O/c1-12-10-19(11-13(2)20-12)17-8-7-14(9-18)15-5-3-4-6-16(15)17/h3-8,12-13H,10-11H2,1-2H3
InChI Key:
WGHLKAWKWCVATP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1CC(C)OC(C1)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.344g/mol
Monoisotopic Mass:
266.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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