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2-Aminoadamantane-2-carboxylic acid

CAS No.:
42381-05-5
Catalog Number:
AG00C05H
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
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Product Description
Catalog Number:
AG00C05H
Chemical Name:
2-Aminoadamantane-2-carboxylic acid
CAS Number:
42381-05-5
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD09264341
IUPAC Name:
2-aminoadamantane-2-carboxylic acid
InChI:
InChI=1S/C11H17NO2/c12-11(10(13)14)8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5,12H2,(H,13,14)
InChI Key:
WQMQRNCPZFUGID-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)C2CC3CC1CC(C2)C3
EC Number:
444-760-5
UNII:
F52G3FRR68
NSC Number:
145160
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
[The 2009 pandemic influenza in Russia. I. Diagnosis and molecular biological characteristics of the virus]. Voprosy virusologii 20110101
Susceptibility of highly pathogenic A(H5N1) avian influenza viruses to the neuraminidase inhibitors and adamantanes. Antiviral research 20070301
Properties