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53725-49-8 | 1,2,3,6-Tetrahydro-4-butyl-1-(hexahydro-1H-azepin-1-ylacetyl)-2,2,6,6-tetramethylpyridine
CAS No: 53725-49-8 Catalog No: AG00E3OD MDL No:
Product Description
Catalog Number:
AG00E3OD
Chemical Name:
1,2,3,6-Tetrahydro-4-butyl-1-(hexahydro-1H-azepin-1-ylacetyl)-2,2,6,6-tetramethylpyridine
CAS Number:
53725-49-8
IUPAC Name:
2-(azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethanone
InChI:
InChI=1S/C21H38N2O/c1-6-7-12-18-15-20(2,3)23(21(4,5)16-18)19(24)17-22-13-10-8-9-11-14-22/h15H,6-14,16-17H2,1-5H3
InChI Key:
LCIYPQCPCSHMJD-UHFFFAOYSA-N
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.298g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.548g/mol
Monoisotopic Mass:
334.298g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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