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51639-58-8 molecular structure
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ethyl(pyridin-2-ylmethyl)amine

ChemBase ID: 143763
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
CCNCc1ccccn1
Canonical SMILES:
CCNCc1ccccn1
InChI:
InChI=1S/C8H12N2/c1-2-9-7-8-5-3-4-6-10-8/h3-6,9H,2,7H2,1H3
InChIKey:
BQSUUGOCTJVJIF-UHFFFAOYSA-N

Cite this record

CBID:143763 http://www.chembase.cn/molecule-143763.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl(pyridin-2-ylmethyl)amine
IUPAC Traditional name
ethyl(pyridin-2-ylmethyl)amine
Synonyms
N-(2-Pyridinylmethyl)ethanamine
N-(2-pyridinylmethyl)ethanamine
ethyl(pyridin-2-ylmethyl)amine
CAS Number
51639-58-8
MDL Number
MFCD07411568
PubChem SID
162237980
PubChem CID
4723804

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4723804 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0688887  LogD (pH = 7.4) -0.40362412 
Log P 0.75220203  Molar Refractivity 41.3755 cm3
Polarizability 16.497568 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.542 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C8H12N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00044 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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