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N-Nitrososarcosine

CAT: 0572-TRC-N546650-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N546650-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13256-22-9
Hazard Statement
May cause cancer
Purity
>95% (HPLC)
Smiles
CN(CC(=O)O)N=O
Molecular Formula
C3 H6 N2 O3
Molecular Weight
118.09
InChI
InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)
Additionnal Information
IUPAC name: 2-[methyl(nitroso)amino]acetic acid
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

N-Nitrososarcosine

N-Nitrososarcosine can cause cancer according to an independent committee of scientific and health experts.

CAS Number13256-22-9
PubChem CID25811
IUPAC Name2-[methyl(nitroso)amino]acetic acid
Molecular FormulaC3H6N2O3
Molecular Weight118.09
XLogP-0.2
Topological Polar Surface Area70
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity103
SMILES
CN(CC(=O)O)N=O
InChI
InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)
InChIKey
HJMPSKKJHVWPBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrososarcosine
CAS: 13256-22-9
CID: 25811
Formula: C3H6N2O3
MW: 118.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.09
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass118.03784206
Monoisotopic Mass118.03784206
Topological Polar Surface Area70 Ų
Heavy Atom Count8
Formal Charge0
Complexity103
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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