Basic information
- CAS
50823-56-8- Standard SMILES
C[NH2+]C1=CC=CC2=C(C1)C(OC)C(OC)C(OC)C2.[Cl-]- InChIKey
JJKKZAFCPGHDEC-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO3
- Average molar mass
- 301.81 g/mol
- Monoisotopic mass
- 301.1444713
Names & identifiers
- Preferred name
- 5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-2,3,4-trimethoxy-, hydrochloride
- IUPAC
- methyl-(2,3,4-trimethoxy-2,3,4,5-tetrahydro-1H-benzo[7]annulen-6-yl)azanium chloride
Names & synonyms
6-Amino-2,3,4-trimethoxybenzocycloheptane hydrochloride2,3,4-Trimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-amine hydrochloride5H-BENZOCYCLOHEPTEN-6-AMINE, 6,7,8,9-TETRAHYDRO-2,3,4-TRIMETHOXY-, HYDROCHLORIDE50823-56-8RefChem:305324
Database identifiers
- CAS
50823-56-8- PubChem CID
- 39805
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…