Name: (3-fluoroazetidin-3-yl)methanol - ≥97% , CAS No.1268520-93-9
Brand: Aladdin Scientific
SKU: F173159
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Clase	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Alkanolamines
Direct Parent	1,3-aminoalcohols
Alternative Parents	Fluorohydrins Azetidines Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,3-aminoalcohol - Azetidine - Fluorohydrin - Halohydrin - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
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	105.110 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	105.059 Da
Monoisotopic Mass	105.059 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.100
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1C(CN1)(CO)F
IUPAC Name	(3-fluoroazetidin-3-yl)methanol
InChIKey	PFBYWNBYIPWLRG-UHFFFAOYSA-N
INCHI	1S/C4H8FNO/c5-4(3-7)1-6-2-4/h6-7H,1-3H2
Isómeros SMILES	C1C(CN1)(CO)F
PubChem CID	53302277
Peso molecular	105.112

(3-fluoroazetidin-3-yl)methanol - ≥97% , CAS No.1268520-93-9

Specifications