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768-94-5 molecular structure
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(3R,5S,7s)-adamantan-1-amine

ChemBase ID: 151742
Molecular Formular: C10H17N
Molecular Mass: 151.24868
Monoisotopic Mass: 151.13609955
SMILES and InChIs

SMILES:
C1[C@@H]2C[C@]3(C[C@@H](C2)C[C@@H]1C3)N
Canonical SMILES:
N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
InChI:
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10-
InChIKey:
DKNWSYNQZKUICI-CHIWXEEVSA-N

Cite this record

CBID:151742 http://www.chembase.cn/molecule-151742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,5S,7s)-adamantan-1-amine
IUPAC Traditional name
amantidine
Synonyms
1-Aminoadamantane
1-Adamantylamine
1-氨基金刚烷
1-金刚烷胺
CAS Number
768-94-5
EC Number
212-201-2
MDL Number
MFCD00074732
Beilstein Number
2204333
PubChem SID
162245892
24845945
24848359
PubChem CID
2130

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2130 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5643042  LogD (pH = 7.4) -1.3837394 
Log P 1.4659475  Molar Refractivity 45.5356 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 Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
206-208 °C(lit.) expand Show data source
208-210 °C expand Show data source
RTECS
YD1925000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
22-36/37/38 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
H302-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
Gene Information
human ... GRIN2A(2903) expand Show data source
Purity
≥95.0% (GC) expand Show data source
97% expand Show data source
Grade
technical expand Show data source
Empirical Formula (Hill Notation)
C10H17N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 138576 external link
Application
Building block for an L-piperidinamide catalyst used in an enantioselective Strecker reaction of phosphinoyl imines.1
Packaging
25, 100 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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