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113458-98-3 | 1H-Azepine, 1-hexadecylhexahydro-
CAS No: 113458-98-3 Catalog No: AG0008N9 MDL No:
Product Description
Catalog Number:
AG0008N9
Chemical Name:
1H-Azepine, 1-hexadecylhexahydro-
CAS Number:
113458-98-3
Molecular Formula:
C22H45N
Molecular Weight:
323.5994
IUPAC Name:
1-hexadecylazepane
InChI:
InChI=1S/C22H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22-23/h2-22H2,1H3
InChI Key:
MSYGMUUQTAABAL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN1CCCCCC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.355g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.609g/mol
Monoisotopic Mass:
323.355g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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