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Details

Stereochemistry RACEMIC
Molecular Formula C14H21NO.ClH
Molecular Weight 255.784
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ISOPROPYLPENTEDRONE HYDROCHLORIDE

SMILES

Cl.CCCC(NC(C)C)C(=O)C1=CC=CC=C1

InChI

InChIKey=LZUBTEDAWLMSJJ-UHFFFAOYSA-N
InChI=1S/C14H21NO.ClH/c1-4-8-13(15-11(2)3)14(16)12-9-6-5-7-10-12;/h5-7,9-11,13,15H,4,8H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C14H21NO
Molecular Weight 219.3226
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
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
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
BPW1Y81K1P
Record Status Validated (UNII)
Record Version