2-Butanol, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (salt) (1:1)
Basic information
- CAS
106063-84-7- Standard SMILES
CC[NH+](CC)CCOc1ccccc1OC(Cc1ccccc1)C(C)O.O=C([O-])CC(O)(CC(=O)O)C(=O)O- InChIKey
DLUOBWZYGJPLRA-UHFFFAOYSA-N- Molecular formula
- C28H39NO10
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.25739644
Names & identifiers
- Preferred name
- 2-Butanol, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (salt) (1:1)
- IUPAC
- 3-carboxy-3,5-dihydroxy-5-oxopentanoate;diethyl-[2-[2-(3-hydroxy-1-phenylbutan-2-yl)oxyphenoxy]ethyl]azanium
Names & synonyms
3-(2-(2-(Diethylamino)ethoxy)phenoxy)-4-phenylbutan-2-ol citrate2-BUTANOL, 3-(2-(2-(DIETHYLAMINO)ETHOXY)PHENOXY)-4-PHENYL-, CITRATE (salt) (1:1)106063-84-7RefChem:257765
Database identifiers
- CAS
106063-84-7- PubChem CID
- 60082
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 595
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…