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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2
Molecular Weight 200.2795
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-22394

SMILES

CN1C2=C(CCNCC2)C3=C1C=CC=C3

InChI

InChIKey=ZBXDOQWPGBISAR-UHFFFAOYSA-N
InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H16N2
Molecular Weight 200.2795
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
J7HPJ854EA
Record Status Validated (UNII)
Record Version