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4-Oxospiro[1，2，3，4-tetrahydroquinazoline-2，1’-cyclopentane]-5-carbonitrile - ≥95%, high purity , CAS No.1272756-16-7

COA

Grade & Purity:

≥95%

Cas Number: 1272756-16-7
Molecular Weight: 227.26
PubChem CID: 73553931

In stock

Item Number

O735074

Grouped product items
SKU	Size	Availability	Price	Qty
O735074-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$810.90
O735074-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,757.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Benzenoids Vinylogous amides Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Benzenoid - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Cyanide - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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	4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-5-carbonitrile
INCHI	InChI=1S/C13H13N3O/c14-8-9-4-3-5-10-11(9)12(17)16-13(15-10)6-1-2-7-13/h3-5,15H,1-2,6-7H2,(H,16,17)
InChIKey	IROLGSVICKCBJQ-UHFFFAOYSA-N
Smiles	C1CCC2(C1)NC3=CC=CC(=C3C(=O)N2)C#N
Isomeric SMILES	C1CCC2(C1)NC3=CC=CC(=C3C(=O)N2)C#N
PubChem CID	73553931
Molecular Weight	227.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.260 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	227.106 Da
Monoisotopic Mass	227.106 Da
Topological Polar Surface Area	64.900 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	377.000
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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4-Oxospiro[1，2，3，4-tetrahydroquinazoline-2，1’-cyclopentane]-5-carbonitrile - ≥95%, high purity , CAS No.1272756-16-7

Basic Description