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Nitroso (acetoxymethyl) methylamine

CAT: 0013-GTR19153171-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153171-01Size:10 mg
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Description
Nitroso (acetoxymethyl) methylamine (also known as Methyl (acetoxymethyl) nitrosamine; -Acetoxy dimethylnitrosamine; CAS number: 56856-83-8) is a compound with a molecular weight of 132.12 Da and a purity of ≥97%.
CAS Number
56856-83-8
Product Name Alternative
Methyl (acetoxymethyl) nitrosamine; -Acetoxy dimethylnitrosamine
Purity
≥97%
Solubility
Soluble in water.
Smiles
CC (=O) OCN (C) N=O
Molecular Formula
C4H8N2O3
Molecular Weight
132.12
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.
Applications Notes
Liquid
Other Product Names
Acetoxymethyl methylnitrosamine

Chemical Information

Methanol, 1-(methylnitrosoamino)-, 1-acetate

RN given refers to parent cpd; structure in seventh source

CAS Number56856-83-8
PubChem CID42016
IUPAC Name[methyl(nitroso)amino]methyl acetate
Molecular FormulaC4H8N2O3
Molecular Weight132.12
XLogP0.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
CC(=O)OCN(C)N=O
InChI
InChI=1S/C4H8N2O3/c1-4(7)9-3-6(2)5-8/h3H2,1-2H3
InChIKey
WBXQXRXMGCOVHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanol, 1-(methylnitrosoamino)-, 1-acetate
CAS: 56856-83-8
CID: 42016
Formula: C4H8N2O3
MW: 132.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.12
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass132.05349212
Monoisotopic Mass132.05349212
Topological Polar Surface Area59 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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