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N-Nitroso Sarcosine Methyl Ester

CAT: 0572-TRC-N546660-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N546660-750MGSize:750 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51938-19-3
Synonyms
Acetic acid, 2-(methylnitrosoamino)-, methyl ester (ACI); Glycine, N-methyl-N-nitroso-, methyl ester (9CI); Methyl 2-(methylnitrosoamino)acetate (ACI); Methyl N-methyl-N-nitrosoglycinate; Methyl N-nitrososarcosinate; Methyl(carboxymethyl)nitrosamine methy
Hazard Statement
Harmful if swallowed.
Smiles
COC(=O)CN(C)N=O
Molecular Formula
C4 H8 N2 O3
Molecular Weight
132.118
InChI
InChI=1S/C4H8N2O3/c1-6(5-8)3-4(7)9-2/h3H2,1-2H3
Additionnal Information
IUPAC name: methyl 2-[methyl(nitroso)amino]acetate
Shipping Conditions
Room Temperature

Chemical Information

Glycine, N-methyl-N-nitroso-, methyl ester
CAS Number51938-19-3
PubChem CID12222423
IUPAC Namemethyl 2-[methyl(nitroso)amino]acetate
Molecular FormulaC4H8N2O3
Molecular Weight132.12
XLogP0.1
Topological Polar Surface Area59
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
CN(CC(=O)OC)N=O
InChI
InChI=1S/C4H8N2O3/c1-6(5-8)3-4(7)9-2/h3H2,1-2H3
InChIKey
GHWQTFSANJGRHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycine, N-methyl-N-nitroso-, methyl ester
CAS: 51938-19-3
CID: 12222423
Formula: C4H8N2O3
MW: 132.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.12
XLogP30.1
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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