Azelaic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)
Basic information
- CAS
19847-09-7- Standard SMILES
CN1CC2CCCC(C1)N2CCOC(=O)CCCCCCCC(=O)OCCN1C2CCCC1CN(C)C2.Cl.Cl.Cl.Cl- InChIKey
MJOMKRRCHXJHQF-UHFFFAOYSA-N- Molecular formula
- C29H56Cl4N4O4
- Average molar mass
- 666.6 g/mol
- Monoisotopic mass
- 664.305567
Names & identifiers
- Preferred name
- Azelaic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)
- IUPAC
- bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] nonanedioate;tetrahydrochloride
Names & synonyms
19847-09-7Azelaic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)RefChem:320278DTXSID40941685Bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] nonanedioate--hydrogen chloride (1/4)
Database identifiers
- CAS
19847-09-7- PubChem CID
- 29833
- DTXSID
DTXSID40941685
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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