Tunnistetiedot

(-)-3-Ppp

Ei ilmoitettu · C14H21NO

01Tunnistetiedot

Lazychem IDLC-85315
CAS RNEi ilmoitettu
PubChem CID5311189
Molecular formulaC14H21NO
Molecular weight219.32 g/mol
IUPAC name3-[(3S)-1-propylpiperidin-3-yl]phenol
InChIKeyHTSNFXAICLXZMA-CYBMUJFWSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 5311189
Two-dimensional chemical structure of (-)-3-Ppp
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, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines1
SMILESCCCN1CCC[C@H](C1)C2=CC(=CC=C2)O
InChIEi ilmoitettu

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

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

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      06Lähteet