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56622-54-9 molecular structure
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(6-methylpyridin-3-yl)methanamine

ChemBase ID: 63508
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
c1(CN)cnc(C)cc1
Canonical SMILES:
NCc1ccc(nc1)C
InChI:
InChI=1S/C7H10N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,4,8H2,1H3
InChIKey:
NZPFQOXRHLUPRT-UHFFFAOYSA-N

Cite this record

CBID:63508 http://www.chembase.cn/molecule-63508.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-methylpyridin-3-yl)methanamine
IUPAC Traditional name
(6-methylpyridin-3-yl)methanamine
Synonyms
(6-Methyl-3-pyridyl)methanamine
(6-methylpyridin-3-yl)methanamine
CAS Number
56622-54-9
MDL Number
MFCD06212657
PubChem SID
162029247
PubChem CID
12214337

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12214337 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9479113  LogD (pH = 7.4) -1.7822026 
Log P 0.012711994  Molar Refractivity 36.966 cm3
Polarizability 14.57109 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)
Melting Point
59 - 61°C expand Show data source
Hydrophobicity(logP)
0.096 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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