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113458-99-4 | 1H-Azepine, 1-dodecylhexahydro-3,3,5-trimethyl-
CAS No: 113458-99-4 Catalog No: AG0008N8 MDL No:
Product Description
Catalog Number:
AG0008N8
Chemical Name:
1H-Azepine, 1-dodecylhexahydro-3,3,5-trimethyl-
CAS Number:
113458-99-4
Molecular Formula:
C21H43N
Molecular Weight:
309.5728
IUPAC Name:
1-dodecyl-3,3,5-trimethylazepane
InChI:
InChI=1S/C21H43N/c1-5-6-7-8-9-10-11-12-13-14-16-22-17-15-20(2)18-21(3,4)19-22/h20H,5-19H2,1-4H3
InChI Key:
DOBGVCKLVHFTHW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CCC(CC(C1)(C)C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.34g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.582g/mol
Monoisotopic Mass:
309.34g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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