Basic information
- CAS
49562-05-2- Standard SMILES
COc1cc2c(c(O)c1OC)CC(N)CCC2- InChIKey
CRYDBSUOPZRYDG-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- 5H-Benzocyclohepten-1-ol, 6,7,8,9-tetrahydro-8-amino-2,3-dimethoxy-
- IUPAC
- 6-amino-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-ol
- English name
- 8-Amino-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-1-ol
- Molecular formula
- C13H19NO3
- Molecular weight
- 237.29
Names & synonyms
BRN 27362438-Amino-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-1-ol49562-05-26-Amino-2,3-dimethoxy-4-hydroxybenzocycloheptane5H-BENZOCYCLOHEPTEN-1-OL, 6,7,8,9-TETRAHYDRO-8-AMINO-2,3-DIMETHOXY-RefChem:305318DTXSID909642688-amino-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-ol5H-Benzocyclohepten-1-ol, 8-amino-6,7,8,9-tetrahydro-2,3-dimethoxy-
Database identifiers
- CAS
49562-05-2- PubChem CID
- 39496
- DTXSID
DTXSID90964268- Nikkaji
- J69.278F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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