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N4-(3-Ethynylphenyl)-7-methoxyquinazoline-4，6-diamine - ≥97%, high purity , CAS No.1012057-52-1

COA

Grade & Purity:

≥97%

Cas Number: 1012057-52-1
Molecular Weight: 290.32
PubChem CID: 53486749

In stock

Item Number

N733758

Grouped product items
SKU	Size	Availability	Price
N733758-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$160.90
N733758-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$212.90
N733758-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$591.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Quinazolinamines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Quinazolinamines
Alternative Parents	Methoxyanilines Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Acetylides Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Methoxyaniline - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Ether - Acetylide - Azacycle - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
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	4-N-(3-ethynylphenyl)-7-methoxyquinazoline-4,6-diamine
INCHI	InChI=1S/C17H14N4O/c1-3-11-5-4-6-12(7-11)21-17-13-8-14(18)16(22-2)9-15(13)19-10-20-17/h1,4-10H,18H2,2H3,(H,19,20,21)
InChIKey	GXTDIHSVUDHDCI-UHFFFAOYSA-N
Smiles	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)N
Isomeric SMILES	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)N
PubChem CID	53486749
Molecular Weight	290.32

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	290.320 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	290.117 Da
Monoisotopic Mass	290.117 Da
Topological Polar Surface Area	73.100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	420.000
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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