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114589-98-9 | Ethanone, 1-(9-butyldodecahydro-10(1H)-acridinyl)-
CAS No: 114589-98-9 Catalog No: AG000ERV MDL No:
Product Description
Catalog Number:
AG000ERV
Chemical Name:
Ethanone, 1-(9-butyldodecahydro-10(1H)-acridinyl)-
CAS Number:
114589-98-9
Molecular Formula:
C19H33NO
Molecular Weight:
291.4714
IUPAC Name:
1-(9-butyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-10-yl)ethanone
InChI:
InChI=1S/C19H33NO/c1-3-4-9-15-16-10-5-7-12-18(16)20(14(2)21)19-13-8-6-11-17(15)19/h15-19H,3-13H2,1-2H3
InChI Key:
VYHJUIGUQSXTRS-UHFFFAOYSA-N
SMILES:
CCCCC1C2CCCCC2N(C2C1CCCC2)C(=O)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.479g/mol
Monoisotopic Mass:
291.256g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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