4'-Nitromethopholine
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Basic information
- CAS
63937-57-5- Standard SMILES
COc1cc2c(cc1OC)C(CCc1ccc([N+](=O)[O-])cc1)N(C)CC2- InChIKey
AWDKLHCXDUACLM-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.17360725
Names & identifiers
- Preferred name
- 4'-Nitromethopholine
- IUPAC
- 6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
- English name
- 6,7-Dimethoxy-2-methyl-1-(4-nitrophenethyl)-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C20H24N2O4
- Molecular weight
- 356.42
Names & synonyms
63937-57-54'-Nitromethopholine86JU2L138QRefChem:10690551-(4-nitrophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline6,7-dimethoxy-2-methyl-1-(4-nitrophenethyl)-1,2,3,4-tetrahydroisoquinoline6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline6,7-Dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolineBRN 1556086UNII-86JU2L138Q1-(4-Nitrophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 6,7-dimethoxy-2-methyl-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-
Show more names
Isoquinoline,1,2,3,4-tetrahydro-6,7-diMethoxy-2-Methyl-1-[2-(4-nitrophenyl)ethyl]-
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(4-NITROPHENETHYL)-NIOSH/NX5035100NIOSH/NX5035200NIOSH/NX5035300DTXSID80981186AKOS0159948024'-DECHLORO-4'-NITROMETHOPHOLINEAC-23707
Database identifiers
- CAS
63937-57-5- PubChem CID
- 45492
- DTXSID
DTXSID80981186- UNII
- 86JU2L138Q
- Nikkaji
- J86.409I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Melting point
- 91 · 91-92℃
- Density
- 1.166 · 1.166
- FDA UNII
- 86 JU2L138Q · 86JU2L138Q
Related reactions
0 records
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Compound notes
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