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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO2.2Cl.Fe
Molecular Weight 243.897
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAINE IRON COMPLEX HYDROCHLORIDE

SMILES

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

InChI

InChIKey=XFOORLSJUBGJIX-UHFFFAOYSA-L
InChI=1S/C5H11NO2.2ClH.Fe/c1-6(2,3)4-5(7)8;;;/h4H2,1-3H3;2*1H;/q;;;+2/p-2

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Fe
Molecular Weight 55.845
Charge 2
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 C5H11NO2
Molecular Weight 117.1463
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

Unknown
139,594
Substance Class Chemical
Record UNII
UZX0O3J7FM
Record Status Validated (UNII)
Record Version
NIH
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