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Details

Stereochemistry RACEMIC
Molecular Formula C11H13NO.ClH
Molecular Weight 211.688
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-APB hydrochloride

SMILES

Cl.CC(N)CC1=CC2=C(O1)C=CC=C2

InChI

InChIKey=OVKCXMIMFDYSMP-UHFFFAOYSA-N
InChI=1S/C11H13NO.ClH/c1-8(12)6-10-7-9-4-2-3-5-11(9)13-10;/h2-5,7-8H,6,12H2,1H3;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 C11H13NO
Molecular Weight 175.227
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
3VQJ6ZW3EP
Record Status Validated (UNII)
Record Version