2-Methoxy-4-morpholin-4-yl-benzaldehyde
Basic information
- CAS
404009-68-3- Standard SMILES
COc1cc(N2CCOCC2)ccc1C=O- InChIKey
VIQGJSGNDLYGNS-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 2-Methoxy-4-morpholin-4-yl-benzaldehyde
- IUPAC
- 2-methoxy-4-morpholin-4-ylbenzaldehyde
- English name
- 2-METHOXY-4-MORPHOLIN-4-YL-BENZALDEHYDE
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
404009-68-32-Methoxy-4-morpholin-4-yl-benzaldehyde2-methoxy-4-morpholinobenzaldehyde2-methoxy-4-morpholin-4-ylbenzaldehyde2-methoxy-4-(morpholin-4-yl)benzaldehyde2-Methoxy-4-(4-morpholinyl)benzaldehydeSCHEMBL1664047DTXSID80359629VIQGJSGNDLYGNS-UHFFFAOYSA-N2-methoxy-4-morpholino-benzaldehydeMFCD04217548STL370135
Show more names
ASINEX-REAG BAS 07554331Benzaldehyde, 2-methoxy-4-(4-morpholinyl)-
AKOS000104165CS-0118178ST50284184G73196F031195SR-01000272105SR-01000272105-1
Database identifiers
- CAS
404009-68-3- PubChem CID
- 976800
- DTXSID
DTXSID80359629
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 408.1 · 408.1±45.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 1.45 · 1.45±0.40(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
6 records
Compound notes
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