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3-Amino-5-methyl-1H-pyrazole-4-carbonitrile - 96%, high purity , CAS No.5453-07-6

COA

Grade & Purity:

≥96%

Cas Number: 5453-07-6
Molecular Weight: 122.1
PubChem CID: 227460

In stock

Item Number

A185121

Grouped product items
SKU	Size	Availability	Price	Qty
A185121-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$430.90
A185121-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,717.90

Basic Description

Synonyms	5-amino-3-methyl-1H-pyrazole-4-carbonitrile \| 5453-07-6 \| 3-Amino-5-methyl-1H-pyrazole-4-carbonitrile \| 3-Amino-4-cyano-5-methylpyrazole \| 5-Amino-4-cyano-3-methylpyrazole \| 1204294-67-6 \| NSC19055 \| NSC 19055 \| 3-Imino-5-methyl-2,3-dihydro-1H-pyrazole-4-carbonitrile \| MFC
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidolactams

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidolactams
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Imidolactams
Alternative Parents	Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Imidolactam - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
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	3-amino-5-methyl-1H-pyrazole-4-carbonitrile
INCHI	InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
InChIKey	CRRHJAMDQMQGKG-UHFFFAOYSA-N
Smiles	CC1=C(C(=NN1)N)C#N
Isomeric SMILES	CC1=C(C(=NN1)N)C#N
Molecular Weight	122.1
Reaxy-Rn	4378677
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4378677&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	122.130 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	122.059 Da
Monoisotopic Mass	122.059 Da
Topological Polar Surface Area	78.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	146.000
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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