Basic information
- CAS
550-53-8- Standard SMILES
COc1ccc(OC)c(C(O)C(C)NC(C)C)c1- InChIKey
YZXKGCIDSYWQIV-UHFFFAOYSA-N- Molecular formula
- C14H23NO3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.1677936
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Isopropylmethoxamine
- IUPAC
- 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
- English name
- isopropylmethoxamine
- Molecular formula
- C14H23NO3
- Molecular weight
- 253.34
Names & synonyms
N-IsopropylmethoxamineIsopropylmethoxamine550-53-8ISOPROPOXAMINUNII-82Q763925WBa-2696BW-61-432,5-Dimethoxy-alpha-(1-((1-methylethyl)amino)ethyl)benzenemethanoldl-erythro-Hydroxy(2',5'-dimethoxyphenyl)-2-isopropylaminopropane hydrochlorideBenzyl alcohol, alpha-(1-(isopropylamino)ethyl)-2,5-dimethoxy-BENZYL ALCOHOL, .ALPHA.-(1-(ISOPROPYLAMINO)ETHYL)-2,5-DIMETHOXY-2,5-Dimethoxy-alpha-[1-[(1-methylethyl)amino]ethyl]benzenemethanol
Show more names
2,5-Dimethoxy-α-[1-(isopropylamino)ethyl]benzenemethanolBenzenemethanol, 2,5-dimethoxy-α-[1-[(1-methylethyl)amino]ethyl]-
RefChem:149861N-ISOPROPYLMETHOXAMINE, (+-)-Benzyl alcohol, alpha-(1-(isopropylamino)ethyl)-2,5-dimethoxy-(7CI,8CI)Isopropoxamine1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-olBW 61-43Ba 269682Q763925W
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 382.7 · 382.7±42.0 °C(Predicted)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- pka
- 13.73 · 13.73±0.20(Predicted)
- CAS DataBase Reference
- 550 · 550-53-8
- FDA UNII
- 82 Q763925W · 82Q763925W
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…