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54267-60-6 molecular structure
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(1-15N)pyridin-2-amine

ChemBase ID: 160467
Molecular Formular: C5H6N2
Molecular Mass: 95.1079489
Monoisotopic Mass: 95.0501331
SMILES and InChIs

SMILES:
c1c[15n]c(cc1)N
Canonical SMILES:
Nc1cccc[15n]1
InChI:
InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)/i7+1
InChIKey:
ICSNLGPSRYBMBD-CDYZYAPPSA-N

Cite this record

CBID:160467 http://www.chembase.cn/molecule-160467.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-15N)pyridin-2-amine
IUPAC Traditional name
(1-15N)pyridin-2-amine
Synonyms
2-Pyridinamine-15N
1,2-Dihydro-2-iminopyridine-15N
2-Pyridylamine-15N
2-Aminopyridine-15N
CAS Number
54267-60-6
PubChem SID
162254602
PubChem CID
10844337

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A628987 external link Add to cart
PubChem 10844337 external link
Data Source Data ID Price
TRC
A628987 external link Add to cart Please log in.
Data Source Data ID
PubChem 10844337 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.60386604  LogD (pH = 7.4) 0.42012146 
Log P 0.521105  Molar Refractivity 28.915 cm3
Polarizability 10.568171 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Pale Brown Solid expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A628987 external link
Compound has been shown to reversibly block voltage-dependent potassium channels, and is also a common impurity from the synthesis of compounds found in hair dyes

REFERENCES

REFERENCES

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  • • Williams, D.M., et al.: J. Biol. Chem., 275, 38127 (2000)
  • • Munoz-Caro, C., et al.: Biophys. Chem., 96, 1 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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