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2-(((9H-Purin-6-yl)amino)methyl)phenol - ≥97%, high purity , CAS No.20366-83-0

COA

Grade & Purity:

≥97%

Cas Number: 20366-83-0
Molecular Weight: 241.25
MDL number: MFCD18641954
PubChem CID: 11536042

In stock

Item Number

A770856

Grouped product items
SKU	Size	Availability	Price	Qty
A770856-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$158.90
A770856-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$406.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives
      - Level5 6-aminopurines
        Level6 6-alkylaminopurines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	6-aminopurines
Direct Parent	6-alkylaminopurines
Alternative Parents	Benzylamines Aminopyrimidines and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Imidolactams Imidazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	6-alkylaminopurine - Benzylamine - Aminopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Heteroaromatic compound - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
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-[(7H-purin-6-ylamino)methyl]phenol
INCHI	InChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
InChIKey	AKOVXPNRITVXAR-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CNC2=NC=NC3=C2NC=N3)O
Isomeric SMILES	C1=CC=C(C(=C1)CNC2=NC=NC3=C2NC=N3)O
Alternate CAS	20366-83-0
PubChem CID	11536042
Molecular Weight	241.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.250 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	241.096 Da
Monoisotopic Mass	241.096 Da
Topological Polar Surface Area	86.700 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	277.000
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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