Basic information
- CAS
5340-01-2- Standard SMILES
CCN(CC)CCCCCCCNc1nccc2ccccc12.O=C(O)C(=O)O- InChIKey
BWCNVHXFWVFRMY-UHFFFAOYSA-N- Molecular formula
- C22H33N3O4
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.24710654
Names & identifiers
- Preferred name
- Oxalic acid--N~1~,N~1~-diethyl-N~7~-(isoquinolin-1-yl)heptane-1,7-diamine (1/1)
- IUPAC
- N',N'-diethyl-N-isoquinolin-1-ylheptane-1,7-diamine;oxalic acid
Names & synonyms
5340-01-2DTXSID90712645NSC3608NSC-3608Oxalic acid--N~1~,N~1~-diethyl-N~7~-(isoquinolin-1-yl)heptane-1,7-diamine (1/1)
Database identifiers
- CAS
5340-01-2- PubChem CID
- 54599151
- DTXSID
DTXSID90712645
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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