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89857-78-3 | 1H-Azepine, hexahydro-1-[(2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl]-
CAS No: 89857-78-3 Catalog No: AG003WRH MDL No:
Product Description
Catalog Number:
AG003WRH
Chemical Name:
1H-Azepine, hexahydro-1-[(2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl]-
CAS Number:
89857-78-3
Molecular Formula:
C20H39NO2
Molecular Weight:
325.5292
IUPAC Name:
1-[(2-methyl-2-nonyl-1,3-dioxolan-4-yl)methyl]azepane
InChI:
InChI=1S/C20H39NO2/c1-3-4-5-6-7-8-11-14-20(2)22-18-19(23-20)17-21-15-12-9-10-13-16-21/h19H,3-18H2,1-2H3
InChI Key:
PJWHQIQLQUWNRF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1(C)OCC(O1)CN1CCCCCC1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.298g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.537g/mol
Monoisotopic Mass:
325.298g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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