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1-(1-Ethyl-1H-1,2,4-triazol-5-yl)-1-propanamine - Reagent Grade, high purity , CAS No.1060817-32-4

COA

Grade & Purity:

Reagent Grade

Cas Number: 1060817-32-4
Molecular Weight: 154.21
MDL number: MFCD11053953
PubChem CID: 45490078

In stock

Item Number

E478575

Grouped product items
SKU	Size	Availability	Price	Qty
E478575-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,208.90

Basic Description

Synonyms	DTXSID90670514 \| BS-37089 \| 1060817-32-4 \| 1-(2-Ethyl-1,2,4-triazol-3-yl)propan-1-amine \| STL433126 \| 1-(1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)-1-PROPANAMINE \| MFCD11053953 \| DEJVXGNMEHLRIV-UHFFFAOYSA-N \| AKOS011992643 \| 1-(1-Ethyl-1H-1,2,4-triazol-5-yl)-1-propan
Specifications & Purity	Reagent grade
Grade	Reagent Grade

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Not available
Direct Parent	Aralkylamines
Alternative Parents	Triazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aralkylamine - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
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	1-(2-ethyl-1,2,4-triazol-3-yl)propan-1-amine
INCHI	InChI=1S/C7H14N4/c1-3-6(8)7-9-5-10-11(7)4-2/h5-6H,3-4,8H2,1-2H3
InChIKey	DEJVXGNMEHLRIV-UHFFFAOYSA-N
Smiles	CCC(C1=NC=NN1CC)N
Isomeric SMILES	CCC(C1=NC=NN1CC)N
PubChem CID	45490078
Molecular Weight	154.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	154.210 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	154.122 Da
Monoisotopic Mass	154.122 Da
Topological Polar Surface Area	56.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	117.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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