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92566-22-8 | 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2,4,6-trimethoxyphenyl)-
CAS No: 92566-22-8 Catalog No: AG006GNI MDL No:
Product Description
Catalog Number:
AG006GNI
Chemical Name:
1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2,4,6-trimethoxyphenyl)-
CAS Number:
92566-22-8
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
4-(azepan-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one
InChI:
InChI=1S/C19H29NO4/c1-22-15-13-17(23-2)19(18(14-15)24-3)16(21)9-8-12-20-10-6-4-5-7-11-20/h13-14H,4-12H2,1-3H3
InChI Key:
SOKKYQNPGLERHO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1C(=O)CCCN1CCCCCC1)OC
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.444g/mol
Monoisotopic Mass:
335.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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