N'-Hydroxy-3-methylbutanimidamide

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CAS Number

691411-71-9

MDL Number

MFCD07776506

Purity

=95%

Smiles

CC(C)C\C(=N\O)\N

Chemical Information

N'-hydroxy-3-methylbutanimidamide

CAS Number	691411-71-9
PubChem CID	9687708
IUPAC Name	N'-hydroxy-3-methylbutanimidamide
Molecular Formula	C5H12N2O
Molecular Weight	116.16
XLogP	0.7
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	88

SMILES

CC(C)C/C(=N/O)/N

InChI

InChI=1S/C5H12N2O/c1-4(2)3-5(6)7-8/h4,8H,3H2,1-2H3,(H2,6,7)

InChIKey

INTHNGLOSGQQNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 691411-71-9

CID: 9687708

Formula: C5H12N2O

MW: 116.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	116.094963011
Monoisotopic Mass	116.094963011
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	88.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MLB57882-01	3-Hydroxy-3-methylbutanimidamide hydrochloride
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