Identitet

2-Methylcholine

Ikke angivet · C6H16NO+

01Identitet

Lazychem IDLC-53851
CAS RNIkke angivet
PubChem CID16942
Molecular formulaC6H16NO+
Molecular weight118.20 g/mol
IUPAC name2-hydroxypropyl(trimethyl)azanium
InChIKeyJPKKMFOXWKNEEN-UHFFFAOYSA-N

02Struktur og stereokemi

2D structurePubChem CID 16942
Two-dimensional chemical structure of 2-Methylcholine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count0
Secondary amines0
Tertiary amines0
SMILESCC(C[N+](C)(C)C)O
InChIIkke angivet

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.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

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