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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO2.H2O
Molecular Weight 135.1616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAINE HYDRATE

SMILES

O.C[N+](C)(C)CC([O-])=O

InChI

InChIKey=NJZRLXNBGZBREL-UHFFFAOYSA-N
InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2

HIDE SMILES / InChI

Molecular Formula C5H12NO2
Molecular Weight 118.1543
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
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
TPU0ITR2BR
Record Status Validated (UNII)
Record Version