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10523-68-9 molecular structure
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(1r,3r,5r,7r)-adamantan-2-amine hydrochloride

ChemBase ID: 148391
Molecular Formular: C10H18ClN
Molecular Mass: 187.70962
Monoisotopic Mass: 187.11277726
SMILES and InChIs

SMILES:
C1[C@H]2C[C@@H]3C([C@H](C2)C[C@H]1C3)N.Cl
Canonical SMILES:
NC1[C@@H]2C[C@@H]3C[C@H]1C[C@H](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/t6-,7+,8-,9+,10?;
InChIKey:
WLDWDRZITJEWRJ-ZDAMNCSYSA-N

Cite this record

CBID:148391 http://www.chembase.cn/molecule-148391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1r,3r,5r,7r)-adamantan-2-amine hydrochloride
IUPAC Traditional name
(1r,3r,5r,7r)-adamantan-2-amine hydrochloride
Synonyms
2-Adamantanamine hydrochloride
2-Aminoadamantane hydrochloride
2-Adamantylamine hydrochloride
2-Adamantanamine 盐酸盐
2-氨基金刚烷 盐酸盐
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
24849376
162242567
PubChem CID
25331

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25331 external link

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(lit.) 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
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% (T) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C10H17N · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 153818 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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