Basic information
- CAS
40405-71-8- Standard SMILES
CCCCCCCCOc1ccc(-c2cn(CCCC)cn2)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
ZKOQPSMUXHRRHE-LREBCSMRSA-N- Molecular formula
- C25H38N2O7
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.26790156
Names & identifiers
- Preferred name
- Imidazole, 1-butyl-4-(p-octyloxyphenyl)-, tartrate
- IUPAC
- 1-butyl-4-(4-octoxyphenyl)imidazole;(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
Verbindungen 453 [German]Verbindungen 4531-Butyl-4-(p-octyloxyphenyl)imidazole tartrate40405-71-8Imidazole, 1-butyl-4-(p-octyloxyphenyl)-, tartrateRefChem:348843DTXSID10960808(2R,3R)-2,3-Dihydroxybutanedioic acid--1-butyl-4-[4-(octyloxy)phenyl]-1H-imidazole (1/1)2,3-Dihydroxybutanedioic acid--1-butyl-4-[4-(octyloxy)phenyl]-1H-imidazole (1/1)
Database identifiers
- CAS
40405-71-8- PubChem CID
- 218239
- DTXSID
DTXSID10960808
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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