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N-Hydroxyisobutanamidine

CAT: 0127-OR40109-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR40109-01Size:250 mg
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CAS Number
35613-84-4
Synonyms
N-Hydroxy-2-methylpropanimidamide, N-Hydroxyisobutyramidine, Isobutyramidoxime
MDL Number
MFCD00464225
Purity
95%
Smiles
CC(C)C(=N)NO

Chemical Information

N'-Hydroxy-2-methylpropanimidamide
CAS Number35613-84-4
PubChem CID2794833
IUPAC NameN'-hydroxy-2-methylpropanimidamide
Molecular FormulaC4H10N2O
Molecular Weight102.14
XLogP0.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity77
SMILES
CC(C)C(=NO)N
InChI
InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKey
JHRDEHLFNLLCQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-Hydroxy-2-methylpropanimidamide
CAS: 35613-84-4
CID: 2794833
Formula: C4H10N2O
MW: 102.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight102.14
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass102.079312947
Monoisotopic Mass102.079312947
Topological Polar Surface Area58.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity77.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes