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cis-(1-benzylpyrrolidine-3，4-diyl)dimethanol - ≥98%, high purity , CAS No.179601-65-1

COA

Grade & Purity:

≥98%

Cas Number: 179601-65-1
Molecular Weight: 221.29
PubChem CID: 53883141

In stock

Item Number

C769020

Grouped product items
SKU	Size	Availability	Price	Qty
C769020-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$558.90

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 Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - 1,3-aminoalcohol - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - 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

IUPAC Name	[(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
INCHI	InChI=1S/C13H19NO2/c15-9-12-7-14(8-13(12)10-16)6-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13+
InChIKey	HLFKLRXUZKUZOP-BETUJISGSA-N
Smiles	C1C(C(CN1CC2=CC=CC=C2)CO)CO
Isomeric SMILES	C1[C@@H]([C@@H](CN1CC2=CC=CC=C2)CO)CO
PubChem CID	53883141
Molecular Weight	221.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.290 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	221.142 Da
Monoisotopic Mass	221.142 Da
Topological Polar Surface Area	43.700 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	192.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

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