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Adamantane, 1- (nitroamino) -

CAT: 0013-GTR19224032-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224032-01Size:100 mg
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Description
This small molecule, 1- (nitroamino) adamantane, is a biochemical research compound. It serves as a versatile intermediate in medicinal chemistry, particularly in the synthesis of adamantane derivatives for investigating potential pharmacological activities in vitro.
CAS Number
49598-79-0
Smiles
O=N (=O) NC12CC3CC (CC (C3) C1) C2
Molecular Formula
C10H16N2O2
Molecular Weight
196.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adamantane, 1-(nitroamino)-
CAS Number49598-79-0
PubChem CID39498
IUPAC NameN-(1-adamantyl)nitramide
Molecular FormulaC10H16N2O2
Molecular Weight196.25
XLogP3.2
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity231
SMILES
C1C2CC3CC1CC(C2)(C3)N[N+](=O)[O-]
InChI
InChI=1S/C10H16N2O2/c13-12(14)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2
InChIKey
WVRNBJYPGUJEEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adamantane, 1-(nitroamino)-
CAS: 49598-79-0
CID: 39498
Formula: C10H16N2O2
MW: 196.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.25
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass196.121177757
Monoisotopic Mass196.121177757
Topological Polar Surface Area57.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity231
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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