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144288-49-3 molecular structure
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4-(aminomethyl)pyridin-3-amine

ChemBase ID: 804553
Molecular Formular: C6H9N3
Molecular Mass: 123.15576
Monoisotopic Mass: 123.0796473
SMILES and InChIs

SMILES:
Nc1cnccc1CN
Canonical SMILES:
NCc1ccncc1N
InChI:
InChI=1S/C6H9N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3,7-8H2
InChIKey:
FPKNYDPZJJXIMY-UHFFFAOYSA-N

Cite this record

CBID:804553 http://www.chembase.cn/molecule-804553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(aminomethyl)pyridin-3-amine
IUPAC Traditional name
4-(aminomethyl)pyridin-3-amine
Synonyms
4-AMINOMETHYL-PYRIDIN-3-YLAMINE
CAS Number
144288-49-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21590 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21590 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) -3.8191307  LogD (pH = 7.4) -2.410154 
Log P -0.94758415  Molar Refractivity 37.0749 cm3
Polarizability 13.933052 Å3 Polar Surface Area 64.93 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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