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149532-90-1 molecular structure
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(2-methoxypyridin-4-yl)methanamine hydrochloride

ChemBase ID: 292336
Molecular Formular: C7H11ClN2O
Molecular Mass: 174.62804
Monoisotopic Mass: 174.05599066
SMILES and InChIs

SMILES:
Cl.COc1nccc(CN)c1
Canonical SMILES:
COc1nccc(c1)CN.Cl
InChI:
InChI=1S/C7H10N2O.ClH/c1-10-7-4-6(5-8)2-3-9-7;/h2-4H,5,8H2,1H3;1H
InChIKey:
YSSPAVQWHCPSSA-UHFFFAOYSA-N

Cite this record

CBID:292336 http://www.chembase.cn/molecule-292336.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methoxypyridin-4-yl)methanamine hydrochloride
IUPAC Traditional name
(2-methoxypyridin-4-yl)methanamine hydrochloride
Synonyms
(2-Methoxypyridin-4-yl)methanamine hydrochloride
CAS Number
149532-90-1
PubChem SID
180677867
PubChem CID
17569281

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241126 Please log in.
Data Source Data ID
PubChem 17569281 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6306946  LogD (pH = 7.4) -1.4656171 
Log P 0.31812808  Molar Refractivity 39.1512 cm3
Polarizability 15.312296 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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