Basic information
- CAS
20092-25-5- Standard SMILES
CC[NH+](CC)CCCCCC[NH2+]c1ccc(C)c(-c2ccccc2)c1.O=C([O-])C(=O)O.O=C([O-])C(=O)O- InChIKey
CBRXGLFZPZJXNR-UHFFFAOYSA-N- Molecular formula
- C27H38N2O8
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.26281617
Names & identifiers
- Preferred name
- 1,6-Hexanediamine, N,N-diethyl-N'-(6-methylbiphenyl-3-yl)-, dioxalate, hydrate
- IUPAC
- diethyl-[6-[(4-methyl-3-phenylphenyl)azaniumyl]hexyl]azanium;bis(2-hydroxy-2-oxoacetate)
Names & synonyms
Aniline, N-(6-diethylaminohexyl)-4-methyl-3-phenyl-, dioxalate, monohydrateN-(6-Diethylaminohexyl)-3-phenyl-4-methylaniline di-oxalate monohydrate1,6-HEXANEDIAMINE, N,N-DIETHYL-N'-(6-METHYLBIPHENYL-3-YL)-, DIOXALATE, HYDRATE20092-25-5RefChem:221592
Database identifiers
- CAS
20092-25-5- PubChem CID
- 29947
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…