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Metformin-D6 HCl

CAT: 1299-RM-M200627-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M200627-01Size:10 mg
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CAS Number
1185166-01-1
Synonyms
Metformin-d6 HCl
Molecular Formula
C4H5D6N5 HCl
Molecular Weight
135.20 36.46
Target Alternative Name
Metformin
Product Name Synonym
Metformin-d6 HCl

Chemical Information

N'-(Diaminomethylidene)-N,N-bis((~2~H_3_)methyl)guanidine--hydrogen chloride (1/1)
CAS Number1185166-01-1
PubChem CID45039707
IUPAC Name3-(diaminomethylidene)-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
Molecular FormulaC4H12ClN5
Molecular Weight171.66
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity132
SMILES
[2H]C([2H])([2H])N(C(=N)N=C(N)N)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H/i1D3,2D3;
InChIKey
OETHQSJEHLVLGH-TXHXQZCNSA-N
Chemical Structure
2D Structure
2D structure of N'-(Diaminomethylidene)-N,N-bis((~2~H_3_)methyl)guanidine--hydrogen chloride (1/1)
CAS: 1185166-01-1
CID: 45039707
Formula: C4H12ClN5
MW: 171.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.66
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass171.1157836
Monoisotopic Mass171.1157836
Topological Polar Surface Area91.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity132
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes