N-Methylnitroacetamide

CAT: 0926-IM57856-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-IM57856-02Size:250 mg

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CAS Number

72078-82-1

Synonyms

N-Methyl-2-nitroacetamide; Ranitidine Hydrochloride impurity H

Smiles

CNC (=O) C[N+] (=O) [O-]

Molecular Formula

C3H6N2O3

Molecular Weight

118.09 g/mol

Controlled

Chemical Information

N-Methylnitroacetamide

CAS Number	72078-82-1
PubChem CID	12512111
IUPAC Name	N-methyl-2-nitroacetamide
Molecular Formula	C3H6N2O3
Molecular Weight	118.09
XLogP	-0.5
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	106

SMILES

CNC(=O)C[N+](=O)[O-]

InChI

InChI=1S/C3H6N2O3/c1-4-3(6)2-5(7)8/h2H2,1H3,(H,4,6)

InChIKey

RXGDLJRIJKYANC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72078-82-1

CID: 12512111

Formula: C3H6N2O3

MW: 118.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.09
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	118.03784206
Monoisotopic Mass	118.03784206
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine
OH07433-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
FE75418-01	N, N, N', N'-Ethylenediaminetetrakis
MDA89862-01	N, N, N', N'-Tetrabenzylpropanediamide
OP04834-01	N, N', N'', N''', N''''-Pentaacetyl chitopentaose
FT54997-01	N, N, N', N'-Tetraacetylethylenediamine
AAA15077-01	N, N, N', N'-Tetraethylethylenediamine
TFA35643-01	N, N, N', N'-Tetrapropylmalonamide
NAA43987-01	N, N, N', N'-Tetraethylguanidine

Catalog	Name
TRC-M323440-50MG	N-Methylnitroacetamide
sc-487918	N-Methylnitroacetamide-d3
sc-222018B	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
OR9122-01	N, N, N', N', N'', N''-Hexamethylmethanetriamine
TRC-H290750-10MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
OR22662	N, N, N, N, N, N-hexaethylphosphinetricarboxamide
AR-O01213-01	N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
TRC-P225000-100MG	N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose
sc-255378	N, N, N', N'', N''-Pentamethyldiethylenetriamine
OR1077740	N, N', N'', N''', N''''-Pentaacetylchitopentaose