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Butyraldoxime

CAT: 0572-TRC-B755455-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B755455-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110-69-0
Synonyms
Butanaldoxime; Butylaldoxime; Butyraldoxime; NSC 1487; n-Butylaldoxime; n-Butyraldoxime
Hazard Statement
No Data Available; UN number: UN2840; Packing Group: III
Smiles
CCCC=NO
Molecular Formula
C4H9NO
Molecular Weight
87.12
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Butanal, oxime

Butanal oxime is an aliphatic aldoxime resulting from the formal condensation of the carbonyl group of n-butanal with hydroxylamine.

CAS Number110-69-0
PubChem CID8069
IUPAC NameN-butylidenehydroxylamine
Molecular FormulaC4H9NO
Molecular Weight87.12
XLogP0.8
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity42
SMILES
CCCC=NO
InChI
InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3
InChIKey
KGGVGTQEGGOZRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butanal, oxime
CAS: 110-69-0
CID: 8069
Formula: C4H9NO
MW: 87.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight87.12
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass87.068413911
Monoisotopic Mass87.068413911
Topological Polar Surface Area32.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity42.8
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

Alternative Products

CatalogName
B31370Butyraldoxime

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