Basic information
- CAS
50823-59-1- Standard SMILES
C[NH2+]C1=CC=CC2=C(C1)C(OC)C(OC)C(OC)C2.C[NH2+]C1=CC=CC2=C(C1)C(OC)C(OC)C(OC)C2.O=C([O-])C(=O)O- InChIKey
RTWCYHHNRNFUPF-UHFFFAOYSA-O- Molecular formula
- C32H49N2O10+
- Average molar mass
- 621.7 g/mol
- Monoisotopic mass
- 621.33872076
Names & identifiers
- Preferred name
- 5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-N-methyl-2,3,4-trimethoxy-, oxalate (2:1)
- IUPAC
- 2-hydroxy-2-oxoacetate;bis(methyl-(2,3,4-trimethoxy-2,3,4,5-tetrahydro-1H-benzo[7]annulen-6-yl)azanium)
Names & synonyms
5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-N-methyl-2,3,4-trimethoxy-, oxalate (2:1)50823-59-1RefChem:10734326-(N-Methyl)amino-2,3,4-trimethoxybenzocycloheptane oxalateN-Methyl-2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-amine oxalate (2:1)
Database identifiers
- CAS
50823-59-1- PubChem CID
- 39808
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 1
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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