bis(N,N-diethylethanamine);2-pentylheptanedioic acid
Basic information
- CAS
827305-10-2- Standard SMILES
CCCCCC(CCCCC(=O)O)C(=O)O.CCN(CC)CC.CCN(CC)CC- InChIKey
WDBWWBTUYGUHJY-UHFFFAOYSA-N- Molecular formula
- C24H52N2O4
- Average molar mass
- 432.7 g/mol
- Monoisotopic mass
- 432.39270814
Names & identifiers
- Preferred name
- bis(N,N-diethylethanamine);2-pentylheptanedioic acid
- IUPAC
- bis(N,N-diethylethanamine);2-pentylheptanedioic acid
Names & synonyms
827305-10-2DTXSID408369412-Pentylheptanedioic acid--N,N-diethylethanamine (1/2)
Database identifiers
- CAS
827305-10-2- PubChem CID
- 71417606
- DTXSID
DTXSID40836941
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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