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3-(1H-Pyrrol-1-yl)propan-1-amine - ≥95%, high purity , CAS No.60794-90-3

COA

Grade & Purity:

≥95%

Cas Number: 60794-90-3
Molecular Weight: 124.18
PubChem CID: 4585582

In stock

Item Number

P709244

Grouped product items
SKU	Size	Availability	Price	Qty
P709244-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$386.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Substituted pyrroles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
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-pyrrol-1-ylpropan-1-amine
INCHI	InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7-8H2
InChIKey	CNRYJJXBFLHSJP-UHFFFAOYSA-N
Smiles	C1=CN(C=C1)CCCN
Isomeric SMILES	C1=CN(C=C1)CCCN
PubChem CID	4585582
Molecular Weight	124.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	124.180 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	124.1 Da
Monoisotopic Mass	124.1 Da
Topological Polar Surface Area	31.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	67.300
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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