Orphenadrine N-oxide
Basic information
- CAS
29215-00-7- Standard SMILES
Cc1ccccc1C(OCC[N+](C)(C)[O-])c1ccccc1- InChIKey
XMSSICJSZNPVFX-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- Orphenadrine N-oxide
- IUPAC
- N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine oxide
- English name
- N,N-Dimethyl-2-[(o-methyl-α-phenylbenzyl)oxy]ethanamine N-oxide
- Molecular formula
- C18H23NO2
- Molecular weight
- 285.38
Names & synonyms
Orphenadrine N-oxide29215-00-7BRN 2538746N,N-Dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)ethylamine N-oxideETHYLAMINE, N,N-DIMETHYL-2-((o-METHYL-alpha-PHENYLBENZYL)OXY)-, N-OXIDEN,N-Dimethyl-2-((o-methyl-.alpha.-phenylbenzyl)oxy)ethylamine N-oxideEthylamine, N,N-dimethyl-2-((o-methyl-.alpha.-phenylbenzyl)oxy)-, N-oxideRefChem:366988XMSSICJSZNPVFX-UHFFFAOYSA-NN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine oxideN,N-Dimethyl-2-[(o-methyl-alpha-phenylbenzyl)oxy]ethanamine N-oxideN,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine N-Oxide; N,N-Dimethyl-2-[(o-methyl-?-phenylbenzyl)oxy]ethylamine N-Oxide;
Show more names
Orphenadrine ImpurityOrphenadrine Impurity 6Orphenadrine Impurity 9 (Orphenadrine N-Oxide)N,N-Dimethyl-2-[(o-methyl-α-phenylbenzyl)oxy]ethanamine N-oxideN,N-DiMethyl-2-[(o-Methyl-α-phenylbenzyl)oxy]ethylaMine N-OxideN,N-DiMethyl-2-[(2-Methylphenyl)phenylMethoxy]ethanaMine N-OxideEthanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-, N-oxide
DTXSID90951815NS00114059Dimethyl(2-[(2-methylphenyl)(phenyl)methoxy]ethyl)amine oxide #N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethan-1-amine N-oxide
Database identifiers
- CAS
29215-00-7- PubChem CID
- 34520
- DTXSID
DTXSID90951815- Nikkaji
- J49.888B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 135 · 135-138°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA metabolite of Orphenadrine (O695300).
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Related reactions
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Compound notes
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