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Acetanilide-d5 (Acetylaniline-d5)

CAT: 0572-TRC-A168332-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A168332-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15826-91-2
Synonyms
Acetamide, N-(phenyl-2,3,4,5,6-d5)-; Acetamide, N-(phenyl-d5)- (9CI); Acetanilide-2',3',4',5',6'-d5 (8CI); N-(Phenyl-2,3,4,5,6-d5)acetamide; Acetanilide-d5; Acetanilide-D5 (phenyl-D5); N-Acetylaniline-2,3,4,5,6-d5; 2',3',4',5',6'-Pentadeuteroacetanilide
Hazard Statement
No Data Available
Smiles
[2H]c1c([2H])c([2H])c(NC(=O)C)c([2H])c1[2H]
Molecular Formula
C8 2H5 H4 N O
Molecular Weight
140.19
InChI
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i2D,3D,4D,5D,6D
Additionnal Information
IUPAC name: N-(2,3,4,5,6-pentadeuteriophenyl)acetamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Acetamide, N-(phenyl-2,3,4,5,6-d5)-
CAS Number15826-91-2
PubChem CID85126
IUPAC NameN-(2,3,4,5,6-pentadeuteriophenyl)acetamide
Molecular FormulaC8H9NO
Molecular Weight140.19
XLogP1.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])NC(=O)C)[2H])[2H]
InChI
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i2D,3D,4D,5D,6D
InChIKey
FZERHIULMFGESH-VIQYUKPQSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, N-(phenyl-2,3,4,5,6-d5)-
CAS: 15826-91-2
CID: 85126
Formula: C8H9NO
MW: 140.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.19
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass140.099797640
Monoisotopic Mass140.099797640
Topological Polar Surface Area29.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count5
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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AR-B01436-01Bestatin-d5 (Ubenimex-d5)
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