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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO.ClH
Molecular Weight 241.757
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOHEXEDRONE HYDROCHLORIDE

SMILES

Cl.CNC(CC(C)C)C(=O)C1=CC=CC=C1

InChI

InChIKey=GNQUXJDIJXCMEO-UHFFFAOYSA-N
InChI=1S/C13H19NO.ClH/c1-10(2)9-12(14-3)13(15)11-7-5-4-6-8-11;/h4-8,10,12,14H,9H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C13H19NO
Molecular Weight 205.2961
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:23:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:23:28 GMT 2023
Record UNII
63ZR7UN7C6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOHEXEDRONE HYDROCHLORIDE
Systematic Name English
.ALPHA.-METHYLAMINOISOHEXANOPHENONE HYDROCHLORIDE
Systematic Name English
4-METHYL-2-(METHYLAMINO)-1-PHENYLPENTAN-1-ONE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
63ZR7UN7C6
Created by admin on Sat Dec 16 18:23:28 GMT 2023 , Edited by admin on Sat Dec 16 18:23:28 GMT 2023
PRIMARY
PUBCHEM
165362307
Created by admin on Sat Dec 16 18:23:28 GMT 2023 , Edited by admin on Sat Dec 16 18:23:28 GMT 2023
PRIMARY
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