Name: (3-aminooxolan-3-yl)methanol - ≥97% , CAS No.1132878-81-9
Brand: Aladdin Scientific
SKU: A172107
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Oxolanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxolanes
Alternative Parents	1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Primary alcohols Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxolane - 1,2-aminoalcohol - Dialkyl ether - Ether - Oxacycle - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Alcohol - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
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	117.150 g/mol
XLogP3	-1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	117.079 Da
Monoisotopic Mass	117.079 Da
Topological Polar Surface Area	55.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.500
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	C1COCC1(CO)N
IUPAC Name	(3-aminooxolan-3-yl)methanol
InChIKey	OJPSWNKHXFWIQJ-UHFFFAOYSA-N
INCHI	1S/C5H11NO2/c6-5(3-7)1-2-8-4-5/h7H,1-4,6H2
Isómeros SMILES	C1COCC1(CO)N
Peso molecular	117.148
Reaxy-Rn	19073057
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19073057&ln=

(3-aminooxolan-3-yl)methanol - ≥97% , CAS No.1132878-81-9

Specifications