Basic information
- CAS
10404-39-4- Standard SMILES
CN(C)CCCC(C(=O)O)(c1ccccc1)c1ccccc1.O=S(=O)(O)O- InChIKey
AKGRXOUIEANRSV-UHFFFAOYSA-N- Molecular formula
- C19H25NO6S
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.14025869
Names & identifiers
- Preferred name
- Valeric acid, 5-(dimethylamino)-2,2-diphenyl-, sulfate (1:1)
- IUPAC
- 5-(dimethylamino)-2,2-diphenylpentanoic acid;sulfuric acid
- English name
- 5-dimethylamino-2,2-diphenyl-pentanoic acid
- Molecular formula
- C19H25NO6S
- Molecular weight
- 0
Names & synonyms
5-(Dimethylamino)-2,2-diphenylvaleric acid sulfate10404-39-4alpha-(3-Dimethylaminopropyl)diphenylacetic acid sulfateValeric acid, 5-(dimethylamino)-2,2-diphenyl-, sulfate (1:1)DTXSID90146229Pentanoic acid, 5-(dimethylamino)-2,2-diphenyl-, sulfate (1:1)RefChem:388295DTXCID10687205-(dimethylamino)-2,2-diphenylpentanoic acid;sulfuric acid5-dimethylamino-2,2-diphenyl-pentanoic Acid5-(Dimethylamino)-2,2-diphenylpentanoic acid--sulfuric acid (1/1)
Database identifiers
- CAS
10404-39-4- PubChem CID
- 202437
- DTXSID
DTXSID90146229
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Melting point
- 176 · 176-177 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…