4-Methoxy-3-(morpholin-4-ylmethyl)benzaldehyde
Basic information
- CAS
128501-81-5- Standard SMILES
COc1ccc(C=O)cc1CN1CCOCC1- InChIKey
YHRYKKIGMYJYLB-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
Names & identifiers
- Preferred name
- 4-Methoxy-3-(morpholin-4-ylmethyl)benzaldehyde
- IUPAC
- 4-methoxy-3-(morpholin-4-ylmethyl)benzaldehyde
- English name
- 4-Methoxy-3-morpholin-4-ylmethyl-benzaldehyde
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
4-methoxy-3-(morpholin-4-ylmethyl)benzaldehyde128501-81-54-Methoxy-3-(morpholinomethyl)benzaldehyde4-methoxy-3-[(morpholin-4-yl)methyl]benzaldehyde4-Methoxy-3-morpholin-4-ylmethyl-benzaldehydeMFCD004427374-Methoxy-3-(4-morpholinylmethyl)benzaldehydeOprea1_572832Oprea1_587501SCHEMBL348999ALBB-001101BBL009228
Show more names
AKOS B000991ART-CHEM-BB B000991TIMTEC-BB SBB000738Benzaldehyde, 4-methoxy-3-(4-morpholinylmethyl)-
SBB000738STK298878AKOS000264788ST005553VS-02030DB-349448CS-0302250EN300-92372
Database identifiers
- CAS
128501-81-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H17NO3/c1-16-13-3-2-11(10-15)8-12(13)9-14-4-6-17-7-5-14/h2-3,8,10H,4-7,9H2,1H3
- InChIKey
- YHRYKKIGMYJYLB-UHFFFAOYSA-N
- SMILES
- COC1=CC=C(C=O)C=C1CN2CCOCC2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses4-Methoxy-3-(morpholin-4-ylmethyl)benzaldehyde is used in the synthesis of 2-Aryl 1,2-Dihydro-4(3H)-quinazoline derivative possessing anticancer and antiparasitic activities and capable of preventing the progress of neurodegenerative diseases.
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Compound notes
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