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1159811-59-2 molecular structure
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6-methoxy-5-methylpyridin-3-amine hydrochloride

ChemBase ID: 70601
Molecular Formular: C7H11ClN2O
Molecular Mass: 174.62804
Monoisotopic Mass: 174.05599066
SMILES and InChIs

SMILES:
c1c(cc(c(n1)OC)C)N.Cl
Canonical SMILES:
COc1ncc(cc1C)N.Cl
InChI:
InChI=1S/C7H10N2O.ClH/c1-5-3-6(8)4-9-7(5)10-2;/h3-4H,8H2,1-2H3;1H
InChIKey:
QYRXTCKKJDXJBI-UHFFFAOYSA-N

Cite this record

CBID:70601 http://www.chembase.cn/molecule-70601.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-5-methylpyridin-3-amine hydrochloride
IUPAC Traditional name
6-methoxy-5-methylpyridin-3-amine hydrochloride
Synonyms
6-Methoxy-5-methylpyridin-3-amine hydrochloride
CAS Number
1159811-59-2
MDL Number
MFCD05662388
PubChem SID
162036316
PubChem CID
45108203

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45108203 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8644803  LogD (pH = 7.4) 0.87669694 
Log P 0.8768551  Molar Refractivity 40.4194 cm3
Polarizability 14.857481 Å3 Polar Surface Area 48.14 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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