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Mildronate Impurity 2

CAT: 1299-RM-M650002-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M650002-02Size:25 mg
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CAS Number
77076-08-5
Synonyms
3,3'- (2,2-dimethylhydrazine-1,1-diyl) dipropionic acid
Molecular Formula
C8H16N2O4
Molecular Weight
204.23
Target Alternative Name
Mildronate
Product Name Synonym
3,3'- (2,2-dimethylhydrazine-1,1-diyl) dipropionic acid

Chemical Information

3,3'-(2,2-Dimethylhydrazine-1,1-diyl)dipropionic acid
CAS Number77076-08-5
PubChem CID4178172
IUPAC Name3-[2-carboxyethyl(dimethylamino)amino]propanoic acid
Molecular FormulaC8H16N2O4
Molecular Weight204.22
XLogP-5.1
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
CN(C)N(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C8H16N2O4/c1-9(2)10(5-3-7(11)12)6-4-8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
HFQBUIDRDLEHSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-(2,2-Dimethylhydrazine-1,1-diyl)dipropionic acid
CAS: 77076-08-5
CID: 4178172
Formula: C8H16N2O4
MW: 204.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.22
XLogP3-5.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass204.11100700
Monoisotopic Mass204.11100700
Topological Polar Surface Area81.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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