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1060802-55-2 molecular structure
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2-(aminomethyl)pyridine-3-carbonitrile

ChemBase ID: 815009
Molecular Formular: C7H7N3
Molecular Mass: 133.15058
Monoisotopic Mass: 133.06399724
SMILES and InChIs

SMILES:
c1c(c(ncc1)CN)C#N
Canonical SMILES:
NCc1ncccc1C#N
InChI:
InChI=1S/C7H7N3/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,5,9H2
InChIKey:
HIWFHCLFOZYPPX-UHFFFAOYSA-N

Cite this record

CBID:815009 http://www.chembase.cn/molecule-815009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(aminomethyl)pyridine-3-carbonitrile
IUPAC Traditional name
2-(aminomethyl)pyridine-3-carbonitrile
Synonyms
2-(aminomethyl)nicotinonitrile
CAS Number
1060802-55-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37255 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37255 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) -2.1887052  LogD (pH = 7.4) -0.5608621 
Log P -0.1810901  Molar Refractivity 37.5739 cm3
Polarizability 14.624638 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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