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α-Hydroxymethyl Atropine - 98%, high purity , CAS No.2515-36-8

COA

Grade & Purity:

≥98%

Cas Number: 2515-36-8
Molecular Weight: 319.4
PubChem CID: 200685

In stock

Item Number

H340343

Grouped product items
SKU	Size	Availability	Price
H340343-10mg	10mg	2	$43.90
H340343-25mg	25mg	1	$84.90
H340343-50mg	50mg	1	$129.90
H340343-100mg	100mg	1	$199.90

a byproduct produced in the preparation of Atropine

Basic Description

Synonyms	Benzeneacetic acid, alpha,alpha-bis(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-ylester, endo-(+-)- \| 5-21-01-00242 (Beilstein Handbook Reference) \| SCHEMBL23494924 \| ALPHA-HYDROXYMETHYL ATROPINE \| SCHEMBL23494923 \| Tropic ester of alpha-oxymethylt
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	α-Hydroxymethyl Atropine is a byproduct produced in the preparation of Atropine.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Class Tropane alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Tropane alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tropane alkaloids
Alternative Parents	Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tropane alkaloid - Beta-hydroxy acid - Benzenoid - N-alkylpyrrolidine - Piperidine - Hydroxy acid - Monocyclic benzene moiety - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
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	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate
INCHI	InChI=1S/C18H25NO4/c1-19-14-7-8-15(19)10-16(9-14)23-17(22)18(11-20,12-21)13-5-3-2-4-6-13/h2-6,14-16,20-21H,7-12H2,1H3/t14-,15+,16?
InChIKey	ICTCLIOSQZBOFS-XYPWUTKMSA-N
Smiles	CN1C2CCC1CC(C2)OC(=O)C(CO)(CO)C3=CC=CC=C3
Isomeric SMILES	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)(CO)C3=CC=CC=C3
Molecular Weight	319.4
Reaxy-Rn	1549723
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1549723&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
B2402185	Certificate of Analysis	Jan 02, 2024	H340343
B2402187	Certificate of Analysis	Jan 02, 2024	H340343
B2402189	Certificate of Analysis	Jan 02, 2024	H340343
B2402190	Certificate of Analysis	Jan 02, 2024	H340343
B2402191	Certificate of Analysis	Jan 02, 2024	H340343
B2402192	Certificate of Analysis	Jan 02, 2024	H340343
B2402186	Certificate of Analysis	Jan 02, 2024	H340343
B2402188	Certificate of Analysis	Jan 02, 2024	H340343

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Boil Point(°C)	444.2-534.2° C at 760 mmHg (Predicted)
Melt Point(°C)	144-146° C
Molecular Weight	319.400 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	319.178 Da
Monoisotopic Mass	319.178 Da
Topological Polar Surface Area	70.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	403.000
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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