Basic information
- CAS
875005-58-6- Standard SMILES
CNCCCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1- InChIKey
FZGCBSYGZCVMLE-UHFFFAOYSA-N- Molecular formula
- C14H22ClN3O3
- Average molar mass
- 315.79 g/mol
Names & identifiers
- Preferred name
- 2-[2-Chloro-6-methoxy-4-({[3-(methylamino)propyl]amino}methyl)phenoxy]acetamide
- IUPAC
- 2-[2-chloro-6-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
- English name
- 2-[2-chloro-6-methoxy-4-({[3-(methylamino)propyl]amino}methyl)phenoxy]acetamide
- Molecular formula
- C14H22ClN3O3
- Molecular weight
- 315.8
Names & synonyms
2-[2-chloro-6-methoxy-4-({[3-(methylamino)propyl]amino}methyl)phenoxy]acetamideSTK284138AKOS0014792332-[2-chloro-6-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamideAN-465/428893492-{2-Chloro-6-methoxy-4-[(3-methylamino-propylamino)-methyl]-phenoxy}-acetamide875005-58-6Acetamide, 2-[2-chloro-6-methoxy-4-[[[3-(methylamino)propyl]amino]methyl]phenoxy]-
Database identifiers
- CAS
875005-58-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 502.2 · 502.2±50.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 15.21 · 15.21±0.40(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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