Basic information
- CAS
37462-47-8- Standard SMILES
COc1cc2c(cc1OC)CCNCC2- InChIKey
MHKDOURMQPZPAG-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592878
Names & identifiers
- Preferred name
- 7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
Names & synonyms
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine37462-47-8DTXSID50513074RefChem:309951DTXCID30463881SCHEMBL3162737SCHEMBL8543417MHKDOURMQPZPAG-UHFFFAOYSA-NAKOS009278810AT34748EN300-58592
Database identifiers
- CAS
37462-47-8- PubChem CID
- 12923429
- DTXSID
DTXSID50513074- Nikkaji
- J1.376.543J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Related reactions
22 records
Compound notes
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