Oxazole, 2-(diethylamino)-5-ethyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)
Basic information
- CAS
31784-96-0- Standard SMILES
CCc1oc(N(CC)CC)nc1-c1ccccc1.CCc1oc(N(CC)CC)nc1-c1ccccc1.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
MVRKCPFJTKWXKX-UHFFFAOYSA-N- Molecular formula
- C32H46N4O8S2
- Average molar mass
- 678.9 g/mol
- Monoisotopic mass
- 678.27570679
Names & identifiers
- Preferred name
- Oxazole, 2-(diethylamino)-5-ethyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)
- IUPAC
- ethane-1,2-disulfonic acid;bis(N,N,5-triethyl-4-phenyl-1,3-oxazol-2-amine)
Names & synonyms
Oxazole, 2-(diethylamino)-5-ethyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)2-(Diethylamino)-5-ethyl-4-phenyloxazole 1,2-ethanedisulfonate (2:1)31784-96-0DTXSID90185653RefChem:367207DTXCID30108144Ethane-1,2-disulfonic acid--N,N,5-triethyl-4-phenyl-1,3-oxazol-2-amine (1/2)
Database identifiers
- CAS
31784-96-0- PubChem CID
- 208199
- DTXSID
DTXSID90185653
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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