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Home > Nitro Compounds > 82925-01-7
82925-01-7 | 6,7-Dimethoxy-2-(4-nitrophenethyl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 82925-01-7 Catalog No: AG005EP1 MDL No:MFCD09955195
Product Description
Catalog Number:
AG005EP1
Chemical Name:
6,7-Dimethoxy-2-(4-nitrophenethyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
82925-01-7
Molecular Formula:
C19H22N2O4
Molecular Weight:
342.3890
MDL Number:
MFCD09955195
IUPAC Name:
6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C19H22N2O4/c1-24-18-11-15-8-10-20(13-16(15)12-19(18)25-2)9-7-14-3-5-17(6-4-14)21(22)23/h3-6,11-12H,7-10,13H2,1-2H3
InChI Key:
APCRFYGXPUAKFD-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc2cc1OC)C(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.395g/mol
Monoisotopic Mass:
342.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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