Identitāte

2-Methylindoline

Nav norādīts · C9H11N

01Identitāte

Lazychem IDLC-53725
CAS RNNav norādīts
PubChem CID23305
Molecular formulaC9H11N
Molecular weight133.19 g/mol
IUPAC name2-methyl-2,3-dihydro-1H-indole
InChIKeyQRWRJDVVXAXGBT-UHFFFAOYSA-N

02Struktūra un stereoķīmija

2D structurePubChem CID 23305
Two-dimensional chemical structure of 2-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
SMILESCC1CC2=CC=CC=C2N1
InChINav norādīts

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

2 records

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.

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.

04Statuss Indijā

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

05Nosaukumi un saistības

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