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161647-06-9 molecular structure
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(5-methylpyridin-2-yl)methanamine

ChemBase ID: 67441
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
c1(ccc(cn1)C)CN
Canonical SMILES:
NCc1ccc(cn1)C
InChI:
InChI=1S/C7H10N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,4,8H2,1H3
InChIKey:
NXTVBKWLOZSCQE-UHFFFAOYSA-N

Cite this record

CBID:67441 http://www.chembase.cn/molecule-67441.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-methylpyridin-2-yl)methanamine
IUPAC Traditional name
(5-methylpyridin-2-yl)methanamine
Synonyms
(5-Methylpyridin-2-yl)methanamine
1-(5-methyl-2-pyridinyl)methanamine
CAS Number
161647-06-9
45715-08-0
MDL Number
MFCD08752541
PubChem SID
162033176
PubChem CID
11423586

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2711525  LogD (pH = 7.4) -0.70884645 
Log P 0.4762351  Molar Refractivity 36.8935 cm3
Polarizability 14.571675 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
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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