Name: 4-(propan-2-yl)azetidin-2-one - ≥97% , CAS No.7486-92-2
Brand: Aladdin Scientific
SKU: A638361
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Lactams
Subclass	Beta lactams
Intermediate Tree Nodes	Not available
Direct Parent	Monobactams
Alternative Parents	Secondary carboxylic acid amides Azetidines Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Monobactam - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another 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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	113.160 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	113.084 Da
Monoisotopic Mass	113.084 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	109.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CC(C)C1CC(=O)N1
IUPAC Name	4-propan-2-ylazetidin-2-one
InChIKey	UMECPVGLNIYFEO-UHFFFAOYSA-N
INCHI	1S/C6H11NO/c1-4(2)5-3-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)
Isómeros SMILES	CC(C)C1CC(=O)N1
CAS alternativo	7486-92-2
PubChem CID	13741595
Peso molecular	113.16

4-(propan-2-yl)azetidin-2-one - ≥97% , CAS No.7486-92-2

Specifications