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13392-28-4 molecular structure
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1-(adamantan-1-yl)ethan-1-amine hydrochloride

ChemBase ID: 55387
Molecular Formular: C12H22ClN
Molecular Mass: 215.76278
Monoisotopic Mass: 215.14407739
SMILES and InChIs

SMILES:
C1C2CC3(CC1CC(C2)C3)C(C)N.Cl
Canonical SMILES:
CC(C12CC3CC(C2)CC(C1)C3)N.Cl
InChI:
InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H
InChIKey:
OZBDFBJXRJWNAV-UHFFFAOYSA-N

Cite this record

CBID:55387 http://www.chembase.cn/molecule-55387.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(adamantan-1-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
rimantadine hydrochloride
Synonyms
1-(1-adamantyl)ethylamine hydrochloride
1-(Adamantan-1-yl)ethylamine hydrochloride
Rimantadine hydrochloride
1-(1-Aminoethyl)adamantane hydrochloride
[1-(1-Adamantyl)ethyl]amine hydrochloride
1-((3r,5r,7r)-adamantan-1-yl)ethanamine hydrochloride
1-(1-adamantyl)ethanamine hydrochloride
α-Methyltricyclo[3.3.1.13,7]decane-1-methanamine Hydrochloride
Flumadine
Meradane
Roflual
Rimantadine Hydrochloride
CAS Number
13392-28-4
1501-84-4
MDL Number
MFCD00072023
PubChem SID
162060150
PubChem CID
15165

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8055685  LogD (pH = 7.4) -0.34652156 
Log P 2.2170057  Molar Refractivity 54.5221 cm3
Polarizability 22.19729 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White Crystalline Solid expand Show data source
Melting Point
373-375°C expand Show data source
378 - 380°C expand Show data source
Hydrophobicity(logP)
2.923 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - R517000 external link
Used as an antiviral agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hayden, F.G., et al.: Antimicrob. Ag. Chemother., 19, 226 (1981)
  • • Zlydnikov, D.M., et al.: Rev. Infect. Dis., 3, 408 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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