Basic information
- CAS
5778-87-0- Standard SMILES
COc1ccc2nc3c(c(N)c2c1)CCCCC3- InChIKey
RDDMAFNPIDJMBQ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Names & identifiers
- Preferred name
- 7,8,9,10-Tetrahydro-2-methoxy-6H-cyclohepta(b)quinolin-11-amine
- IUPAC
- 2-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
- English name
- 11-AMINO-7,8,9,10-TETRAHYDRO-2-METHOXY-6H-CYCLOHEPTA[B]QUINOLINE
- Molecular formula
- C15H18N2O
- Molecular weight
- 242.32
Names & synonyms
5778-87-0MAS 844DTXSID10206470RefChem:1074260DTXCID101289617,8,9,10-Tetrahydro-2-methoxy-6H-cyclohepta(b)quinolin-11-amine2-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine11-amino-7,8,9,10-tetrahydro-2-methoxy-6h-cyclohepta[b]quinolineCHEMBL4874599BRN 03990177,8,9,10-Tetrahydro-11-amino-2-methoxy-6H-cyclohepta(b)quinoline6H-CYCLOHEPTA(b)QUINOLINE, 7,8,9,10-TETRAHYDRO-11-AMINO-2-METHOXY-
Show more names
6H-Cyclohepta[b]quinolin-11-amine, 7,8,9,10-tetrahydro-2-methoxy-
5-22-12-00203 (Beilstein Handbook Reference)CHEMBL5029035BDBM50569765AKOS012655912
Database identifiers
- CAS
5778-87-0- PubChem CID
- 22007
- DTXSID
DTXSID10206470
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 178 · 178-179 °C
- Boiling point
- 453.7 · 453.7±45.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 9.7 · 9.70±0.20(Predicted)
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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