[3-(2-Morpholin-4-yl-2-oxoethoxy)phenyl]amine
Basic information
- CAS
184944-87-4- Standard SMILES
Nc1cccc(OCC(=O)N2CCOCC2)c1- InChIKey
SQKMJEPQICGMPL-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- [3-(2-Morpholin-4-yl-2-oxoethoxy)phenyl]amine
- IUPAC
- 2-(3-aminophenoxy)-1-morpholin-4-ylethanone
- English name
- CHEMBRDG-BB 7949765
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
184944-87-42-(3-aminophenoxy)-1-morpholinoethanone[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]amine3-[2-(4-MORPHOLINYL)-2-OXOETHOXY]ANILINE2-(3-aminophenoxy)-1-morpholin-4-ylethanoneMFCD037683672-(3-aminophenoxy)-1-(morpholin-4-yl)ethan-1-oneCHEMBL2363522-(3-Aminophenoxy)-1-morpholinoethan-1-one3-(2-morpholin-4-yl-2-oxoethoxy)anilineST0931382-(3-aminophenoxy)-1-morpholin-4-ylethan-1-one
Show more names
CBI-BB ZERO/006512CHEMBRDG-BB 7949765UKRORGSYN-BB BBV-099906N-(2-(3-aminophenoxy)acetyl)morpholine2-(3-aminophenoxy)-1-morpholino-ethanone
2-(3-aminophenoxy)-1-(morpholin-4-yl)ethanoneSCHEMBL2229109DTXSID00351903SQKMJEPQICGMPL-UHFFFAOYSA-NHMS1599K15ALBB-010314BDBM50228170SBB018430
Database identifiers
- CAS
184944-87-4- PubChem CID
- 713098
- DTXSID
DTXSID00351903- ChEMBL
CHEMBL236352
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 485.2 · 485.2±45.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 4.07 · 4.07±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Compound notes
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