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1060804-13-8 molecular structure
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6-(2-aminoethyl)pyridine-3-carbonitrile

ChemBase ID: 815022
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
c1c(cnc(c1)CCN)C#N
Canonical SMILES:
NCCc1ccc(cn1)C#N
InChI:
InChI=1S/C8H9N3/c9-4-3-8-2-1-7(5-10)6-11-8/h1-2,6H,3-4,9H2
InChIKey:
GMGRNUJWBKOMOW-UHFFFAOYSA-N

Cite this record

CBID:815022 http://www.chembase.cn/molecule-815022.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-aminoethyl)pyridine-3-carbonitrile
IUPAC Traditional name
6-(2-aminoethyl)pyridine-3-carbonitrile
Synonyms
6-(2-aminoethyl)nicotinonitrile
CAS Number
1060804-13-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37271 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37271 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9394784  LogD (pH = 7.4) -2.065509 
Log P 0.05592264  Molar Refractivity 42.2733 cm3
Polarizability 16.392239 Å3 Polar Surface Area 62.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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