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1060809-91-7 molecular structure
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3-(aminomethyl)pyridine-4-carbonitrile

ChemBase ID: 813665
Molecular Formular: C7H7N3
Molecular Mass: 133.15058
Monoisotopic Mass: 133.06399724
SMILES and InChIs

SMILES:
c1(c(cncc1)CN)C#N
Canonical SMILES:
NCc1cnccc1C#N
InChI:
InChI=1S/C7H7N3/c8-3-6-1-2-10-5-7(6)4-9/h1-2,5H,4,9H2
InChIKey:
QLCBCWIVVUJPDE-UHFFFAOYSA-N

Cite this record

CBID:813665 http://www.chembase.cn/molecule-813665.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(aminomethyl)pyridine-4-carbonitrile
IUPAC Traditional name
3-(aminomethyl)pyridine-4-carbonitrile
Synonyms
3-(aminomethyl)isonicotinonitrile
CAS Number
1060809-91-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35740 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35740 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) -2.7544856  LogD (pH = 7.4) -1.0711175 
Log P -0.26256198  Molar Refractivity 38.0961 cm3
Polarizability 14.62262 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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