CAS 26482-53-1 | Tricyclo[3.3.1.13,7]decane-1-ethanamine | CAS Number 26482-53-1

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26482-53-1 | Tricyclo[3.3.1.13,7]decane-1-ethanamine

CAS No: 26482-53-1 Catalog No: AG002TE8 MDL No:MFCD00233043

Product Description

Catalog Number:

AG002TE8

Chemical Name:

Tricyclo[3.3.1.13,7]decane-1-ethanamine

CAS Number:

26482-53-1

Molecular Formula:

C12H21N

Molecular Weight:

179.3018

MDL Number:

MFCD00233043

IUPAC Name:

2-(1-adamantyl)ethanamine

InChI:

InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2

InChI Key:

SNJMEUDNDRSJAS-UHFFFAOYSA-N

SMILES:

NCCC12CC3CC(C2)CC(C1)C3

Properties

Complexity:

168

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.167g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.307g/mol

Monoisotopic Mass:

179.167g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
How to overcome resistance of influenza A viruses against adamantane derivatives.	Antiviral research 19980201
Antiviral agents. 2. Structure-activity relationships of compounds related to 1-adamantanamine.	Journal of medicinal chemistry 19710601