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Clavulanic Acid Impurity 7 DiHCl

CAT: 1596-AR-C07861-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C07861-01Size:10 Units
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CAS Number
75804-28-3
Synonyms
2,3-dimethylbutane-2,3-diamine, hydrochloride (1:2)
Molecular Formula
C6H16N2. 2 HCl
Molecular Weight
116.21 2*36.46
API Name
Clavulanic acid

Chemical Information

2,3-Dimethylbutane-2,3-diamine dihydrochloride
CAS Number75804-28-3
PubChem CID18760495
IUPAC Name2,3-dimethylbutane-2,3-diamine;dihydrochloride
Molecular FormulaC6H18Cl2N2
Molecular Weight189.12
Topological Polar Surface Area52
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity72
SMILES
CC(C)(C(C)(C)N)N.Cl.Cl
InChI
InChI=1S/C6H16N2.2ClH/c1-5(2,7)6(3,4)8;;/h7-8H2,1-4H3;2*1H
InChIKey
BRLVXFONMZRJCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethylbutane-2,3-diamine dihydrochloride
CAS: 75804-28-3
CID: 18760495
Formula: C6H18Cl2N2
MW: 189.12
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight189.12
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass188.0847040
Monoisotopic Mass188.0847040
Topological Polar Surface Area52 Ų
Heavy Atom Count10
Formal Charge0
Complexity72.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes