1,4,5,8-Tetrakis(4-aminocyclohexyl)anthraquinone
Basic information
- CAS
28634-38-0- Standard SMILES
NC1CCC(c2ccc(C3CCC(N)CC3)c3c2C(=O)c2c(C4CCC(N)CC4)ccc(C4CCC(N)CC4)c2C3=O)CC1- InChIKey
VQIKXPKVWOCUFF-UHFFFAOYSA-N- Molecular formula
- C38H52N4O2
- Average molar mass
- 596.8 g/mol
- Monoisotopic mass
- 596.40902691
Names & identifiers
- Preferred name
- 1,4,5,8-Tetrakis(4-aminocyclohexyl)anthraquinone
- IUPAC
- 1,4,5,8-tetrakis(4-aminocyclohexyl)anthracene-9,10-dione
- English name
- 1,4,5,8-tetrakis(4-aminocyclohexyl)anthraquinone
- Molecular formula
- C38H52N4O2
- Molecular weight
- 596.85
Names & synonyms
94107-98-91,4,5,8-Tetrakis(4-aminocyclohexyl)anthraquinoneEINECS 302-335-01,4,5,8-tetrakis(4-aminocyclohexyl)anthracene-9,10-dioneDTXSID60916471VQIKXPKVWOCUFF-UHFFFAOYSA-NNS000622641,4,5,8-Tetrakis(cyclohexylamino)anthraquinone1,4,5,8-Tetrakis(4-aminocyclohexyl)-9,10-anthracenedione9,10-Anthracenedione, 1,4,5,8-tetrakis(4-aminocyclohexyl)-
Database identifiers
- CAS
28634-38-0、94107-98-9- PubChem CID
- 119995
- DTXSID
DTXSID60916471- EC Number
- 302-335-0
- Nikkaji
- J318.700D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 846
Physicochemical properties
- Boiling point
- 769.2 · 769.2±60.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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