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1365836-53-8 molecular structure
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(6-methylpyridin-2-yl)methanamine hydrochloride

ChemBase ID: 240031
Molecular Formular: C7H11ClN2
Molecular Mass: 158.62864
Monoisotopic Mass: 158.06107604
SMILES and InChIs

SMILES:
n1c(CN)cccc1C.Cl
Canonical SMILES:
NCc1cccc(n1)C.Cl
InChI:
InChI=1S/C7H10N2.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5,8H2,1H3;1H
InChIKey:
AKRHDUMLUMKGNA-UHFFFAOYSA-N

Cite this record

CBID:240031 http://www.chembase.cn/molecule-240031.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-methylpyridin-2-yl)methanamine hydrochloride
IUPAC Traditional name
(6-methylpyridin-2-yl)methanamine hydrochloride
Synonyms
(6-methylpyridin-2-yl)methanamine hydrochloride
CAS Number
1365836-53-8
MDL Number
MFCD09878926
PubChem SID
164295941
PubChem CID
70700951

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 70700951 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6541448  LogD (pH = 7.4) -1.0896844 
Log P 0.094183885  Molar Refractivity 36.4438 cm3
Polarizability 14.571964 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.096 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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