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Acetaminophen-D4 - analytical standard, high purity , CAS No.64315-36-2

COA

Grade & Purity:

analytical standard

Cas Number: 64315-36-2
Molecular Weight: 155.19
MDL number: MFCD01317366
PubChem CID: 12205925

In stock

Item Number

A136987

Grouped product items
SKU	Size	Availability	Price	Qty
A136987-5mg	5mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$570.90
A136987-10mg	10mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$914.90

View related series

COX (258) Epigenetics (1496) Histone Acetyltransferase (79) Histone Modification (1379) Immunology/Inflammation (1929) Metabolite (5307)

Basic Description

Synonyms	Acetaminophen-(ring-d4), analytical standard \| AB08551 \| N-(4-Hydroxyphenyl)acetamide-d4 \| N-[4-hydroxy(2,3,5,6-?H?)phenyl]acetamide \| EN300-25981101 \| Acetaminophen-d4 (major) \| N-[4-hydroxy(2H4)phenyl]acetamide \| N-Acetyl-4-aminophenol-d4 \| Paracetamol-
Specifications & Purity	analytical standard
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.
Grade	analytical standard
Product Description	An analgesic and an antipyretic.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Acetanilides
Alternative Parents	N-acetylarylamines 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acetanilide - N-acetylarylamine - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
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	N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide
INCHI	InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i2D,3D,4D,5D
InChIKey	RZVAJINKPMORJF-QFFDRWTDSA-N
Smiles	CC(=O)NC1=CC=C(C=C1)O
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])O)[2H]
WGK Germany	1
Molecular Weight	155.19
Reaxy-Rn	2208089
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208089&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
J2211726	Certificate of Analysis	Jul 19, 2024	A136987
J2211727	Certificate of Analysis	Jul 19, 2024	A136987
J1520056	Certificate of Analysis	Apr 13, 2023	A136987

Chemical and Physical Properties

Solubility	Soluble in Dimethyl Sulfoxide and Methanol
Flash Point(°F)	370.4 °F
Flash Point(°C)	188 °C
Molecular Weight	155.190 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	155.088 Da
Monoisotopic Mass	155.088 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139.000
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
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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