2-(2-Morpholinoethoxy)benzaldehyde

HCID 976593

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Basic information

CAS: 68997-45-5
Standard SMILES: O=Cc1ccccc1OCCN1CCOCC1
InChIKey: PVOHRJPUWBWZCV-UHFFFAOYSA-N
Molecular formula: C13H17NO3
Average molar mass: 235.28 g/mol
Monoisotopic mass: 235.1208434

Names & identifiers

Preferred name: 2-(2-Morpholinoethoxy)benzaldehyde
IUPAC: 2-(2-morpholin-4-ylethoxy)benzaldehyde
English name: 2-(2-Morpholinoethoxy)benzaldehyde
Molecular formula: C13H17NO3
Molecular weight: 235.28

Names & synonyms

2-(2-Morpholinoethoxy)benzaldehyde68997-45-52-(2-morpholin-4-ylethoxy)benzaldehyde2-[2-(4-morpholinyl)ethoxy]benzaldehyde2-(2-Morpholin-4-yl-ethoxy)-benzaldehyde2-[2-(morpholin-4-yl)ethoxy]benzaldehydeSCHEMBL42240482-(morpholinoethoxy)benzaldehydeDTXSID80359624PVOHRJPUWBWZCV-UHFFFAOYSA-NALBB-036677MFCD07440326

Show more names

AKOS BC-2080ASISCHEM C56813CHEMBRDG-BB 7726728TIMTEC-BB SBB011722Benzaldehyde, 2-[2-(4-morpholinyl)ethoxy]-2-(2-Morpholin-4-ylethoxy)benzaldehyde 95%2-[2-(4-morpholinyl)ethoxy]benzaldehyde oxalate

SBB011722AKOS000249380DB-019406CS-0116586ST50288841F94589F041994

Database identifiers

CAS: 68997-45-5
PubChem CID: 976593
DTXSID: DTXSID80359624

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 229

Physicochemical properties

Melting point: 43 °C · 43 °C
Boiling point: 0 · 0
Density: 1.141 · 1.141±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 6.38 · 6.38±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: C
HazardClass: IRRITANT