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N-Nitrosoethylmethylamine

CAT: 0024-sc-471231Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-471231Size:100 mg
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CAS Number
10595-95-6

Chemical Information

N-Nitrosomethylethylamine

N-Nitrosomethylethylamine can cause cancer according to California Labor Code.

CAS Number10595-95-6
PubChem CID25418
IUPAC NameN-ethyl-N-methylnitrous amide
Molecular FormulaC3H8N2O
Molecular Weight88.11
XLogP0.6
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity46
SMILES
CCN(C)N=O
InChI
InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3
InChIKey
RTDCJKARQCRONF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosomethylethylamine
CAS: 10595-95-6
CID: 25418
Formula: C3H8N2O
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass88.063662883
Monoisotopic Mass88.063662883
Topological Polar Surface Area32.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity46.1
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