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18364-47-1 molecular structure
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N-methylpyridin-3-amine

ChemBase ID: 70498
Molecular Formular: C6H8N2
Molecular Mass: 108.14112
Monoisotopic Mass: 108.06874827
SMILES and InChIs

SMILES:
c1c(cccn1)NC
Canonical SMILES:
CNc1cccnc1
InChI:
InChI=1S/C6H8N2/c1-7-6-3-2-4-8-5-6/h2-5,7H,1H3
InChIKey:
DBGFNLVRAFYZBI-UHFFFAOYSA-N

Cite this record

CBID:70498 http://www.chembase.cn/molecule-70498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methylpyridin-3-amine
IUPAC Traditional name
N-methylpyridin-3-amine
Synonyms
N-Methylpyridin-3-amine
N-METHYL-3-PYRIDINAMINE
CAS Number
18364-47-1
MDL Number
MFCD01418130
PubChem SID
162036213
PubChem CID
140376

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1249297  LogD (pH = 7.4) 0.22041297 
Log P 0.22835152  Molar Refractivity 34.0949 cm3
Polarizability 12.411894 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.116 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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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