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1-Ethyl-4-methyl-1H-pyrazol-5-amine - Reagent Grade, high purity , CAS No.3702-13-4

COA

Grade & Purity:

Reagent Grade

Cas Number: 3702-13-4
Molecular Weight: 125.17
MDL number: MFCD08059943
PubChem CID: 22456658

In stock

Item Number

E479010

Grouped product items
SKU	Size	Availability	Price	Qty
E479010-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$537.90

Basic Description

Synonyms	MFCD08059943 \| SCHEMBL691352 \| AKOS005169468 \| 2-ethyl-4-methyl-2H-pyrazol-3-ylamine \| 1-Ethyl-4-methyl-1H-pyrazol-5-amine, AldrichCPR \| 2-Ethyl-4-methyl-pyrazol-3-amine \| 2-ethyl-4-methylpyrazol-3-amine \| STL414962 \| 1-ETHYL-4-METHYL-1H-PYRAZOL-5-AMINE \|
Specifications & Purity	Reagent grade
Grade	Reagent Grade

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazoles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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-ethyl-4-methylpyrazol-3-amine
INCHI	InChI=1S/C6H11N3/c1-3-9-6(7)5(2)4-8-9/h4H,3,7H2,1-2H3
InChIKey	XHWLCRAUUAFQTD-UHFFFAOYSA-N
Smiles	CCN1C(=C(C=N1)C)N
Isomeric SMILES	CCN1C(=C(C=N1)C)N
WGK Germany	3
Molecular Weight	125.17
Reaxy-Rn	775256
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775256&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	125.170 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.095 Da
Monoisotopic Mass	125.095 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.300
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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