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3717-38-2 molecular structure
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(3R,5S,7s)-N-methyladamantan-1-amine

ChemBase ID: 143119
Molecular Formular: C11H19N
Molecular Mass: 165.27526
Monoisotopic Mass: 165.15174961
SMILES and InChIs

SMILES:
CN[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C2)C3
Canonical SMILES:
CN[C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3
InChI:
InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3/t8-,9+,10-,11-
InChIKey:
NZOLSRPWNVZXTK-BIBSGERRSA-N

Cite this record

CBID:143119 http://www.chembase.cn/molecule-143119.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,5S,7s)-N-methyladamantan-1-amine
IUPAC Traditional name
(3R,5S,7s)-N-methyladamantan-1-amine
Synonyms
1-(Methylamino)adamantane
N-Methyl-1-adamantylamine
1-(甲氨基)金刚烷
N-甲基-1-金刚烷胺
CAS Number
3717-38-2
MDL Number
MFCD01674017
Beilstein Number
2348926
PubChem SID
162237341
PubChem CID
19476

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
727547 external link Add to cart Please log in.
Data Source Data ID
PubChem 19476 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3401213  LogD (pH = 7.4) -1.1342521 
Log P 1.898528  Molar Refractivity 50.3102 cm3
Polarizability 20.35101 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
AU4375400 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
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 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
Purity
≥97.0% expand Show data source
≥97.0% (GC) expand Show data source
Empirical Formula (Hill Notation)
C11H19N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 727547 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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