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Details

Stereochemistry RACEMIC
Molecular Formula C16H23NO.ClH
Molecular Weight 281.821
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPHA-PHP HYDROCHLORIDE

SMILES

Cl.CCCCC(N1CCCC1)C(=O)C2=CC=CC=C2

InChI

InChIKey=GHUKPNGFMJPXSY-UHFFFAOYSA-N
InChI=1S/C16H23NO.ClH/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14;/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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

Molecular Formula C16H23NO
Molecular Weight 245.3599
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
Z5DJ7QN981
Record Status Validated (UNII)
Record Version