Basic information
- CAS
73713-77-6- Standard SMILES
CCCCCCCCCCCCCCCCCCNC1=C(Cl)C(=O)C(NCCCCCCCCCCCCCCCCCC)=C(Cl)C1=O- InChIKey
CHNOLIVJENIFJS-UHFFFAOYSA-N- Molecular formula
- C42H76Cl2N2O2
- Average molar mass
- 712 g/mol
- Monoisotopic mass
- 710.5283851
Names & identifiers
- Preferred name
- p-Benzoquinone, 3,6-bis(octadecylamino)-2,5-dichloro-
- IUPAC
- 2,5-dichloro-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Dichloro-3,6-bis(octadecylamino)-1,4-benzoquinone
- Molecular weight
- 0
Names & synonyms
73713-77-6p-Benzoquinone, 3,6-bis(octadecylamino)-2,5-dichloro-NSC 103328BRN 35193572,5-Dichloro-3,6-bis(octadecylamino)-p-benzoquinoneDTXSID802240202,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis(octadecylamino)-4-14-00-00374 (Beilstein Handbook Reference)RefChem:367601DTXCID801465112,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis(octadecylamino)-(9CI)2,5-dichloro-3,6-bis(octadecylamino)cyclohexa-2,5-diene-1,4-dione
Show more names
2,5-Dichloro-3,6-bis(octadecylamino)-1,4-benzoquinone
NSC103328NSC-1033282,6-bis(octadecylamino)-p-benzoquinoneWLN: L6V DVJ BM18 CG EM18 FGp-Benzoquinone,6-bis(octadecylamino)-2,5-dichloro-2,4-dione, 2,5-dichloro-3,6-bis(octadecylamino)-
Database identifiers
- CAS
73713-77-6- PubChem CID
- 97181
- DTXSID
Properties
Computed structural properties
- XLogP
- 19.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 36
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…