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4-Amino-2-hydroxy-1,1,1-trifluorobutane - 97%, high purity , CAS No.57165-84-1
Discover 4-Amino-2-hydroxy-1,1,1-trifluorobutane by Aladdin Scientific in 97% for only $1,171.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-amino-1,1,1-trifluorobutan-2-ol | 57165-84-1 | 4-amino-2-hydroxy-1,1,1-trifluorobutane | SCHEMBL5181554 | MFCD12047592 | AKOS009945127 | SB84523 | 4amino-2-hydroxy-1,1,1-trifluorobutane | BS-13094 | CS-0051051 | EN300-73252 | P11360 | A869744 | Z445924774
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Alkanolamines
Direct Parent
1,3-aminoalcohols
Alternative Parents
Secondary alcohols Fluorohydrins Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
1,3-aminoalcohol - Secondary alcohol - Halohydrin - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
Description
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
Data sources
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.
Names and Identifiers
IUPAC Name
4-amino-1,1,1-trifluorobutan-2-ol
INCHI
InChI=1S/C4H8F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1-2,8H2
InChIKey
VRZHVYTYYVVFSE-UHFFFAOYSA-N
Smiles
C(CN)C(C(F)(F)F)O
Isomeric SMILES
C(CN)C(C(F)(F)F)O
Molecular Weight
143.1076
Reaxy-Rn
1848918
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1848918&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
143.110 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
143.056 Da
Monoisotopic Mass
143.056 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
82.400
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
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