7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Basic information
- CAS
63917-72-6- Standard SMILES
CCNc1ccc2c(cc1=O)C(N)CCc1cc(OC)c(OC)c(OC)c1-2- InChIKey
VYUFNWRNNZSPHQ-UHFFFAOYSA-N- Molecular formula
- C21H26N2O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.18925731
Names & identifiers
- Preferred name
- 7-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
- IUPAC
- 7-amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
- English name
- (S)-7-Amino-6,7-dihydro-10-ethylamino-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one
- Molecular formula
- C21H26N2O4
- Molecular weight
- 370.44
Names & synonyms
DTXSID809810807-Amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-oneEthylaminodesacetylcolchicide7-amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one(S)-7-Amino-6,7-dihydro-10-ethylamino-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-oneBenzo[b]heptalen-9(5H)-one, 11-amino-8-(ethylamino)-11,12-dihydro-2,3,4-trimethoxy-
Database identifiers
- CAS
63917-72-6- PubChem CID
- 45315
- DTXSID
DTXSID80981080
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 615.521 · 615.521±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.224 · 1.224±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.324 · 8.324±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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