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10523-68-9 molecular structure
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adamantan-2-amine hydrochloride

ChemBase ID: 55390
Molecular Formular: C10H18ClN
Molecular Mass: 187.70962
Monoisotopic Mass: 187.11277726
SMILES and InChIs

SMILES:
C1C2CC3CC1CC(C2)C3N.Cl
Canonical SMILES:
NC1C2CC3CC1CC(C2)C3.Cl
InChI:
InChI=1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H
InChIKey:
WLDWDRZITJEWRJ-UHFFFAOYSA-N

Cite this record

CBID:55390 http://www.chembase.cn/molecule-55390.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
adamantan-2-amine hydrochloride
IUPAC Traditional name
adamantan-2-amine hydrochloride
Synonyms
Adamantan-2-amine hydrochloride
2-Aminoadamantane hydrochloride
2-Adamantanamine hydrochloride
Adamantan-2-amine hydrochloride
2-Aminoadamantane hydrochloride
(1r,3r,5r,7r)-adamantan-2-amine hydrochloride
2-Adamantylamine hydrochloride
2-金刚烷胺 盐酸盐
CAS Number
10523-68-9
EC Number
234-074-2
MDL Number
MFCD00074743
Beilstein Number
4297901
PubChem SID
162060153
PubChem CID
25331

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4785138  LogD (pH = 7.4) -1.2317787 
Log P 1.5503438  Molar Refractivity 45.369 cm3
Polarizability 18.504875 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)
Melting Point
>300°C expand Show data source
377 - 379°C expand Show data source
Hydrophobicity(logP)
1.995 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
RTECS
AU4375100 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98+% expand Show data source
TECH expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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