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63938-00-1 | 2-Methyl-1-(2-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
CAS No: 63938-00-1 Catalog No: AG00F6H5 MDL No:
Product Description
Catalog Number:
AG00F6H5
Chemical Name:
2-Methyl-1-(2-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
CAS Number:
63938-00-1
IUPAC Name:
2-methyl-1-[2-(2-nitrophenyl)ethyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline
InChI:
InChI=1S/C18H24N2O2/c1-19-13-12-14-6-2-4-8-16(14)18(19)11-10-15-7-3-5-9-17(15)20(21)22/h3,5,7,9,18H,2,4,6,8,10-13H2,1H3
InChI Key:
MFBGBDQKGVVUET-UHFFFAOYSA-N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.402g/mol
Monoisotopic Mass:
300.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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