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1350637-24-9 molecular structure
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[5-(trifluoromethyl)pyridin-2-yl]methanamine dihydrochloride

ChemBase ID: 61817
Molecular Formular: C7H9Cl2F3N2
Molecular Mass: 249.0609696
Monoisotopic Mass: 248.00948832
SMILES and InChIs

SMILES:
NCc1ccc(cn1)C(F)(F)F.Cl.Cl
Canonical SMILES:
NCc1ccc(cn1)C(F)(F)F.Cl.Cl
InChI:
InChI=1S/C7H7F3N2.2ClH/c8-7(9,10)5-1-2-6(3-11)12-4-5;;/h1-2,4H,3,11H2;2*1H
InChIKey:
FGHQPNQQUWPZFC-UHFFFAOYSA-N

Cite this record

CBID:61817 http://www.chembase.cn/molecule-61817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(trifluoromethyl)pyridin-2-yl]methanamine dihydrochloride
IUPAC Traditional name
[5-(trifluoromethyl)pyridin-2-yl]methanamine dihydrochloride
Synonyms
(5-(Trifluoromethyl)pyridin-2-yl)methanamine dihydrochloride
C-(5-Trifluoromethylpyridin-2-yl)methylamine dihydrochloride
CAS Number
1350637-24-9
MDL Number
MFCD16988624
PubChem SID
162027556
PubChem CID
56587812

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56587812 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8722688  LogD (pH = 7.4) -0.28268152 
Log P 0.8406622  Molar Refractivity 37.826 cm3
Polarizability 14.000355 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
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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