Acetaminophen-d4

CAT: 1596-AR-A03237-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A03237-02Size:25 Units

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CAS Number

64315-36-2

Synonyms

4-Hydroxy-2,3,5,6-tetradeuteroacetanilide; N- (4-Hydroxyphenyl-2,3,5,6-d4) acetamide; N- (4-hydroxyphenyl-2,3,5,6-d4) -Acetamide; Paracetamol-D4;1-Acetylaminobenzene-D4; Acetamidobenzene-D4; Acetanil-D4; Acetanilide-D4; Acetoanilide-D4; Acetylaniline-D4; Anilino methyl ketone-D4; Antifebrin-D4; Benzenamine, N-acetyl-D4; N-Acetylaminobenzene-D4; N-Acetylaniline-D4; N-Phenylacetamide-D4; NSC 203231-D4; NSC 7636-D4; Phenalgene-D4; Phenalgin-D4

Molecular Formula

C8H5D4NO2

Molecular Weight

155.19

API Name

Acetaminophen

Chemical Information

Paracetamol-d4

CAS Number	64315-36-2
PubChem CID	12205925
IUPAC Name	N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide
Molecular Formula	C8H9NO2
Molecular Weight	155.19
XLogP	0.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	139

SMILES

[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])O)[2H]

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

Chemical Structure

2D Structure

CAS: 64315-36-2

CID: 12205925

Formula: C8H9NO2

MW: 155.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	155.19
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	155.088435514
Monoisotopic Mass	155.088435514
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-A05356-01	Acetaminophen Impurity 12
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AR-A05354-01	Acetaminophen Impurity 6

Alternative Products

Catalog	Name
DE2089	Acetaminophen-D4
CS-T-46981	Acetaminophen D4
TRC-A161222-25MG	Acetaminophen-d4 (major)
HY-154762S	Acetaminophen glucuronide-d4
HY-66006S1	4-Acetaminophen sulfate-d4
BUP18863-01	Acetaminophen
001108	Acetaminophen Acetate (Acetaminophen Impurity)
TRC-KIT2471-5X1ML	Acetaminophen-d4 (major) (1.0 mg/mL in Methanol)

Acetaminophen-d4

Chemical Information

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