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MN-05

CAT: 0931-T33458-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33458-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1835197-63-1
Target
Others
Related Pathways
Others
Bioactivity
MN-05 is a neuroprotective and vasodilator for neurodegenerative diseases.
Smiles
C(ON(=O)=O)C12CC3(CC)CC(N)(C1)CC(C2)C3
Molecular Formula
C13H22N2O3
Molecular Weight
254.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3-Amino-5-ethyl-1-adamantyl)methyl nitrate
CAS Number1835197-63-1
PubChem CID134554603
IUPAC Name(3-amino-5-ethyl-1-adamantyl)methyl nitrate
Molecular FormulaC13H22N2O3
Molecular Weight254.33
XLogP2.7
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity383
SMILES
CCC12CC3CC(C1)(CC(C3)(C2)N)CO[N+](=O)[O-]
InChI
InChI=1S/C13H22N2O3/c1-2-11-3-10-4-12(6-11,9-18-15(16)17)8-13(14,5-10)7-11/h10H,2-9,14H2,1H3
InChIKey
SMQKXZANDYJHBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Amino-5-ethyl-1-adamantyl)methyl nitrate
CAS: 1835197-63-1
CID: 134554603
Formula: C13H22N2O3
MW: 254.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.33
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass254.16304257
Monoisotopic Mass254.16304257
Topological Polar Surface Area81.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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