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Acetaminophen-D4 - 97%, high purity , CAS No.64315-36-2
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
≥97%
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.
Taxonomic Classification
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
Data sources
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.
Names and Identifiers
Pubchem Sid
504766977
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766977
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)
Chemical and Physical Properties
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 Ų
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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J1520051