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Details

Stereochemistry RACEMIC
Molecular Formula C6H15ClNO.Cl
Molecular Weight 188.095
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-CHLORO-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE

SMILES

[Cl-].C[N+](C)(C)CC(O)CCl

InChI

InChIKey=CSPHGSFZFWKVDL-UHFFFAOYSA-M
InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1

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 C6H14ClNO
Molecular Weight 151.634
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
APK4X6ZD79
Record Status Validated (UNII)
Record Version