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2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one , CAS No.156258-39-8

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2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one , CAS No.156258-39-8

COA

Cas Number: 156258-39-8
Molecular Weight: 179.26
PubChem CID: 10103748

In stock

Item Number

T167566

Grouped product items
SKU	Size	Availability	Price	Qty
T167566-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,327.90

Basic Description

Synonyms	3-amino-2,2-dimethyl-3-phenylpropan-1-ol \| 156258-39-8 \| SCHEMBL1162293 \| CHEMBL4522511 \| MFCD18785174 \| AKOS005217344 \| SB47233 \| SB47969 \| SS-4635 \| CS-0237460 \| EN300-184026
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Aralkylamines 1,3-aminoalcohols Primary alcohols Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Aralkylamine - 1,3-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-amino-2,2-dimethyl-3-phenylpropan-1-ol
INCHI	InChI=1S/C11H17NO/c1-11(2,8-13)10(12)9-6-4-3-5-7-9/h3-7,10,13H,8,12H2,1-2H3
InChIKey	JROIRYAZVQTFDW-UHFFFAOYSA-N
Smiles	CC(C)(CO)C(C1=CC=CC=C1)N
Isomeric SMILES	CC(C)(CO)C(C1=CC=CC=C1)N
Molecular Weight	179.26
Reaxy-Rn	6844090
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6844090&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.260 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	179.131 Da
Monoisotopic Mass	179.131 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	150.000
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

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