Chemical identity

A-phenyl-a-(2-pyridyl-N-oxide)ethanol

CAS 100393-43-9 · C13H13NO2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13530
PubChem CID15372710
NameA-phenyl-a-(2-pyridyl-N-oxide)ethanol
CAS RN100393-43-9
Molecular formulaC13H13NO2
Molecular weight215.25 g/mol
IUPAC namea-Methyl-a-phenyl-2-pyridinemethanol-1-oxide
InChIKeyPNDSFSTXHFPKNJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 15372710
Two-dimensional chemical structure of A-phenyl-a-(2-pyridyl-N-oxide)ethanol, CAS 100393-43-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C1=CC=CC=C1)(C2=CC=CC=[N+]2[O-])O
InChINot listed
Formula from structureC13H13NO2
Molecular weight from structure215.25 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 100393-43-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 100393-43-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Doxylamine

View API and impurity family

Other names

  • Doxylamine Impurity 1
  • A-phenyl-a-(2-pyridyl-N-oxide)ethanol
  • 1-(1-Oxidopyridin-1-ium-2-yl)-1-phenylethanol
  • 100393-43-9
  • alpha-methyl-alpha-phenyl-2-pyridinemethanol 1-Oxide
  • 2-(1-Hydroxy-1-phenylethyl)pyridine 1-oxide
  • (1RS)-1-Phenyl-1-(pyridin-2-yl)ethanol N-Oxide
  • starbld0022288
  • RXW33ZWD64
  • AEA39343
  • 2-Pyridinemethanol, alpha-methyl-alpha-phenyl-, 1-oxide

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources