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1-Adamantanecarboxamide

CAT: 0572-TRC-A207900-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A207900-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5511-18-2
Hazard Statement
No Data Available
Smiles
NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2
Molecular Formula
C11 H17 N O
Molecular Weight
179.26
InChI
InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)/t7-,8+,9-,11-
Additionnal Information
IUPAC name: adamantane-1-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

Tricyclo(3.3.1.13,7)decane-1-carboxamide
CAS Number5511-18-2
PubChem CID21686
IUPAC Nameadamantane-1-carboxamide
Molecular FormulaC11H17NO
Molecular Weight179.26
XLogP2
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity218
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)N
InChI
InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChIKey
CKBZJTAMRPPVSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tricyclo(3.3.1.13,7)decane-1-carboxamide
CAS: 5511-18-2
CID: 21686
Formula: C11H17NO
MW: 179.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.26
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass179.131014166
Monoisotopic Mass179.131014166
Topological Polar Surface Area43.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity218
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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Alternative Products

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MBS6031227-011-Adamantanecarboxamide
MBS6057055-011-Adamantanecarboxamide-d15
OF59775-011,1,1,1,1-Kestoheptaose
N2864-5.11,1,1,1-Kestohexaose
1120401,1,1,1-Kestohexose

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