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trans-(1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl)methanol - ≥98%, high purity , CAS No.184844-98-2

COA

Grade & Purity:

≥98%

Cas Number: 184844-98-2
Molecular Weight: 259.271
PubChem CID: 18388364

In stock

Item Number

T769021

Grouped product items
SKU	Size	Availability	Price
T769021-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$368.90
T769021-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$606.90
T769021-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,516.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Aralkylamines N-alkylpyrrolidines 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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

Names and Identifiers

INCHI	InChI=1S/C13H16F3NO/c14-13(15,16)12-8-17(7-11(12)9-18)6-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2
InChIKey	JVJIYCXIYVNRHB-UHFFFAOYSA-N
Smiles	C1C(C(CN1CC2=CC=CC=C2)C(F)(F)F)CO
Isomeric SMILES	C1C(C(CN1CC2=CC=CC=C2)C(F)(F)F)CO
Molecular Weight	259.271

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	259.269 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	259.118 Da
Monoisotopic Mass	259.118 Da
Topological Polar Surface Area	23.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	263.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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