Basic information
- CAS
27684-79-3- Standard SMILES
CC(C)NCC(O)COc1ccc(N)cc1- InChIKey
MBHQWSSJIBMVIA-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247788
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Desacetylpractolol
- IUPAC
- 1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
- English name
- desacetylpractolol
- Molecular formula
- C12H20N2O2
- Molecular weight
- 224.3
Names & synonyms
27684-79-3Desacetylpractolol1-(4-Aminophenoxy)-3-((1-methylethyl)amino)-2-propanolRefChem:1321211-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol2-Propanol, 1-(4-aminophenoxy)-3-[(1-methylethyl)amino]-1-(4-Aminophenoxy)-3-[(propan-2-yl)amino]propan-2-ol4-[2-Hydroxy-3-(isopropylamino)propoxy]aniline2-Propanol,1-(4-aminophenoxy)-3-[(1-methylethyl)amino]-SCHEMBL5390387DTXSID10950345MBHQWSSJIBMVIA-UHFFFAOYSA-N
Show more names
1-(4-aminophenoxy)-3-(isopropylamino)propan-2-ol4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenamine
AKOS028114551DB-2950451-(4-aminophenoxy)-3-isopropylaminopro-pan-2-ol
Database identifiers
- CAS
27684-79-3- PubChem CID
- 168716
- DTXSID
DTXSID10950345
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- Boiling point
- 407.2 · 407.2±35.0 °C(Predicted)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- pka
- 14.02 · 14.02±0.20(Predicted)
Chemistry & industry
Suppliers3 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
3 records
Compound notes
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