N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine
Basic information
- CAS
852431-02-8- Standard SMILES
CNCc1cc(-c2ccccc2)on1- InChIKey
UOTLCNYQFPJOPY-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine
- IUPAC
- N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
- English name
- N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
852431-02-8N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amineN-methyl-1-(5-phenylisoxazol-3-yl)methanamineMethyl-(5-phenyl-isoxazol-3-ylmethyl)-amineN-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanaminen-methyl-1-(5-phenylisoxazol-3-yl)methanamine oxalateMFCD07800996methyl[(5-phenyl-1,2-oxazol-3-yl)methyl]amineN-methyl-1-(5-phenyl-3-isoxazolyl)methanaminemethyl[(5-phenylisoxazol-3-yl)methyl]amine oxalatemethyl[(5-phenylisoxazol-3-yl)methyl]aminen-methyl-n-((5-phenylisoxazol-3-yl)methyl)amine
Show more names
AKOS PAO-1471CBI-BB ZERO/004800N-Methyl-5-phenyl-3-isoxazolemethanamine3-IsoxazoleMethanaMine, N-Methyl-5-phenyl-N-(Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine 97%N-methyl(5-phenylisoxazol-3-yl)methanaminehydrochloride
N-Methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine--hydrogen chloride (1/1)SCHEMBL4902504DTXSID00409438ALBB-010484SBB012966STK352884AKOS000506098ST091798
Database identifiers
- CAS
852431-02-8- PubChem CID
- 5200314
- DTXSID
DTXSID00409438
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 323.4 · 323.4±27.0 °C(Predicted)
- Density
- 1.092 · 1.092±0.06 g/cm3 (20 ºC 760 Torr)
- pka
- 7.82 · 7.82±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
- 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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