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Acetaminophen-13C2, 15N1

CAT: 0572-TRC-A161228-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A161228-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
360769-21-7
Synonyms
Acetamide-13C2-15N, N-(4-hydroxyphenyl)- (9CI); Paracetamol-13C2-15N (acetamido-13C2-15N); Paracetamol-13C2,15N; N-(4-Hydroxyphenyl)acetamide-13C2-15N
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[13CH3][13C](=O)[15NH]c1ccc(O)cc1
Molecular Formula
C613C2H915NO2
Molecular Weight
154.14
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i1+1,6+1,9+1
Additionnal Information
IUPAC name: N-(4-hydroxyphenyl)acetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Acetaminophen-13C2,15N
CAS Number360769-21-7
PubChem CID76972944
IUPAC NameN-(4-hydroxyphenyl)acetamide
Molecular FormulaC8H9NO2
Molecular Weight154.14
XLogP0.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
[13CH3][13C](=O)[15NH]C1=CC=C(C=C1)O
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i1+1,6+1,9+1
InChIKey
RZVAJINKPMORJF-ZDDXGAPTSA-N
Chemical Structure
2D Structure
2D structure of Acetaminophen-13C2,15N
CAS: 360769-21-7
CID: 76972944
Formula: C8H9NO2
MW: 154.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.14
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass154.06707309
Monoisotopic Mass154.06707309
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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