Tunnistetiedot

3-Methylindoline

Ei ilmoitettu · C9H11N

01Tunnistetiedot

Lazychem IDLC-106505
CAS RNEi ilmoitettu
PubChem CID524504
Molecular formulaC9H11N
Molecular weight133.19 g/mol
IUPAC name3-methyl-2,3-dihydro-1H-indole
InChIKeyBFQARNDIMKOOQQ-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 524504
Two-dimensional chemical structure of 3-Methylindoline
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
Ring count2
Secondary amines1
Tertiary amines0
SMILESCC1CNC2=CC=CC=C12
InChIEi ilmoitettu

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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

Ei ilmoitettu

Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet