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Details

Stereochemistry ACHIRAL
Molecular Formula C16H33N3O2.ClH
Molecular Weight 335.913
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DODECYL CREATINE ESTER HYDROCHLORIDE

SMILES

Cl.CCCCCCCCCCCCOC(=O)CN(C)C(N)=N

InChI

InChIKey=LZXNGALLQGFBOA-UHFFFAOYSA-N
InChI=1S/C16H33N3O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-21-15(20)14-19(2)16(17)18;/h3-14H2,1-2H3,(H3,17,18);1H

HIDE SMILES / InChI

Molecular Formula C16H33N3O2
Molecular Weight 299.4521
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 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
H5MT5A82QG
Record Status Validated (UNII)
Record Version