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1-Methyl-3-nitroguanidine - 98%(~25%water), high purity , CAS No.4245-76-5

COA

Grade & Purity:

≥98%
~25%water

Cas Number: 4245-76-5
Molecular Weight: 118.09
MDL number: MFCD00024167
PubChem CID: 20237

In stock

Item Number

M102350

Grouped product items
SKU	Size	Availability	Price
M102350-5g	5g	3	$12.90
M102350-25g	25g	3	$47.90
M102350-100g	100g	3	$171.90
M102350-250g	250g	2	$384.90
M102350-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$654.90

View related series

Functional group compounds (254) Guanidines (18)

Basic Description

Synonyms	2-methyl-1-nitroguanidine \| FT-0656957 \| AKOS015995401 \| N''-METHYL-N-NITROGUANIDINE \| AKOS003397414 \| J-504928 \| MFCD00024167 \| SCHEMBL422868 \| 1-methyl-2-nitroguanidine \| DTXSID70195230 \| D87774 \| Q17578672 \| 1-Methyl-3-nitroguanidine \| 1-Methyl-3-nitro
Specifications & Purity	≥98%, ~25%water
Shipped In	Normal
Product Description	1-Methyl-3-nitroguanidine (MNG) is formed as intermediate during the production of hydroxyl radical during 1-methyl-3-nitro-1-nitrosoguanidine (MNNG) - induced gastric cancer in the xanthine oxidase system. MNG has been referred by the U.S. Air Force Armament Laboratory for use in explosive formulations. MNG is formed during nucleophilic attack by H2O2 on the nitroso nitrogen of MNNG. MNG is non-carcinogenic analog of N-methyl-N′-nitro-N-nitrosoguanidine (direct-acting carcinogen). 1-Methyl-3-nitroguanidine (N-methyl-N′-nitroguanidine) was used in the synthesis of clothianidin hapten.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Guanidines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Guanidines
Intermediate Tree Nodes	Not available
Direct Parent	Nitroguanidines
Alternative Parents	Nitramines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organic zwitterions Organic oxides Imines Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitroguanidine - Nitramine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Imine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitroguanidines. These are organonitrogen compounds containing a nitro group, which is N-linked to a guanidine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-methyl-1-nitroguanidine
INCHI	InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)
InChIKey	XCXKNNGWSDYMMS-UHFFFAOYSA-N
Smiles	CN=C(N)N[N+](=O)[O-]
Isomeric SMILES	CN=C(N)N[N+](=O)[O-]
WGK Germany	3
RTECS	MF4125000
PubChem CID	20237
UN Number	1325
Molecular Weight	118.09
Reaxy-Rn	5495905

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
H1527035	Certificate of Analysis	Apr 14, 2023	M102350
I2201572	Certificate of Analysis	Jun 28, 2022	M102350
I2201618	Certificate of Analysis	Jun 28, 2022	M102350
H1823143	Certificate of Analysis	Jun 23, 2022	M102350
H1823142	Certificate of Analysis	Jun 23, 2022	M102350

Chemical and Physical Properties

Flash Point(°C)	89°C
Melt Point(°C)	153-155°C
Molecular Weight	118.100 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	118.049 Da
Monoisotopic Mass	118.049 Da
Topological Polar Surface Area	96.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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