1,5-Azaborocine-4,6-dione, 1,1'-ethylenebis(5-butoxy-3,7-dimethyl-
Basic information
- CAS
69402-04-6- Standard SMILES
CCCCOB1C(=O)/C(C)=C\N(CCN2/C=C(/C)C(=O)B(OCCCC)C(=O)/C(C)=C\2)/C=C(/C)C1=O- InChIKey
FQGHEGDAQAEIEH-UHFFFAOYSA-N- Molecular formula
- C26H38B2N2O6
- Average molar mass
- 496.2 g/mol
- Monoisotopic mass
- 496.2915973
Names & identifiers
- Preferred name
- 1,5-Azaborocine-4,6-dione, 1,1'-ethylenebis(5-butoxy-3,7-dimethyl-
- IUPAC
- (2Z,7Z)-5-butoxy-1-[2-[(2Z,7Z)-5-butoxy-3,7-dimethyl-4,6-dioxo-1,5-azaborocin-1-yl]ethyl]-3,7-dimethyl-1,5-azaborocine-4,6-dione
- English name
- 1,2-Bis(3,7-dimethyl-5-n-butoxy-1-aza-5-bora-4,6-dioxocycl.
- Molecular weight
- 0
Names & synonyms
1,5-Azaborocine-4,6-dione, 1,1'-ethylenebis(5-butoxy-3,7-dimethyl-69402-04-6RefChem:10534101,2-Bis(3,7-dimethyl-5-n-butoxy-1-aza-5-bora-4,6-dioxocyclooctyl)ethane1,2-Bis(3,7-dimethyl-5-n-butoxy-1-aza-5-bora-4,6-dioxocycl.1,2-Bis(5-butoxy-3,7-dimethyl-4,6-dioxo-1-aza-5-boracyclooctan-1-yl)ethane1,1'-Ethylenebis(octahydro-5-butoxy-3,7-dimethyl-1,5-azaborocine-4,6-dione)
Database identifiers
- CAS
69402-04-6- PubChem CID
- 3052913
Properties
Computed structural properties
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 843
Physicochemical properties
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 5660 mg/kg IHFCAY 6,1,67
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 5660 mg/kg IHFCAY 6,1,67
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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