1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
Basic information
- CAS
890325-34-5- Standard SMILES
CNCc1nc(-c2ccc(OC)cc2)no1- InChIKey
ZKARIOBRVAUQJI-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
- IUPAC
- 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
- English name
- CHEMBRDG-BB 9026198
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
890325-34-51-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine1-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-methylmethanamineMFCD07087667SCHEMBL15133520DTXSID80388176HMS5205K181-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-methanamineSTK301241AKOS003341589BS-35995DB-345612
Show more names
CHEMBRDG-BB 90261981,2,4-Oxadiazole-5-methanamine, 3-(4-methoxyphenyl)-N-methyl-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamineN-((3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL)METHYL)-N-METHYLAMINE1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine(SALTDATA: FREE)
CS-0315457F315740{[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}(METHYL)AMINE
Database identifiers
- CAS
890325-34-5- PubChem CID
- 2997282
- DTXSID
DTXSID80388176
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 356.3 · 356.3±52.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- pka
- 6.7 · 6.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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