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N-Acetyl Adamantamine

CAT: 0572-TRC-A168050-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A168050-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
880-52-4
Synonyms
1-Acetamidoadamantane; Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl- (9CI, ACI); Acetamide, N-1-adamantyl- (6CI, 7CI, 8CI); N-Tricyclo[3.3.1.13,7]dec-1-ylacetamide (ACI); 1-Acetamidoadamantane; N-(Adamantan-1-yl)acetamide; N-(Tricyclo[3.3.1.13,7]dec-1-yl)ace
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CC(=O)NC12CC3CC(CC(C3)C1)C2
Molecular Formula
C12 H19 N O
Molecular Weight
193.285
InChI
InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
Additionnal Information
IUPAC name: N-(1-adamantyl)acetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Acetamidoadamantane
CAS Number880-52-4
PubChem CID64153
IUPAC NameN-(1-adamantyl)acetamide
Molecular FormulaC12H19NO
Molecular Weight193.28
XLogP2.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity230
SMILES
CC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
InChIKey
BCVXYGJCDZPKGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Acetamidoadamantane
CAS: 880-52-4
CID: 64153
Formula: C12H19NO
MW: 193.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.28
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass193.146664230
Monoisotopic Mass193.146664230
Topological Polar Surface Area29.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity230
Isotope Atom Count0
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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