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1060811-09-7 molecular structure
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1-[2-(trifluoromethyl)pyridin-4-yl]ethan-1-amine

ChemBase ID: 814846
Molecular Formular: C8H9F3N2
Molecular Mass: 190.1656696
Monoisotopic Mass: 190.07178296
SMILES and InChIs

SMILES:
C(C)(N)c1cc(ncc1)C(F)(F)F
Canonical SMILES:
CC(c1ccnc(c1)C(F)(F)F)N
InChI:
InChI=1S/C8H9F3N2/c1-5(12)6-2-3-13-7(4-6)8(9,10)11/h2-5H,12H2,1H3
InChIKey:
HINKKEGFYGRYTJ-UHFFFAOYSA-N

Cite this record

CBID:814846 http://www.chembase.cn/molecule-814846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(trifluoromethyl)pyridin-4-yl]ethan-1-amine
IUPAC Traditional name
1-[2-(trifluoromethyl)pyridin-4-yl]ethanamine
Synonyms
1-(2-(trifluoromethyl)pyridin-4-yl)ethanamine
CAS Number
1060811-09-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37078 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37078 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.414039  LogD (pH = 7.4) -0.38790667 
Log P 1.5616157  Molar Refractivity 42.395 cm3
Polarizability 15.794751 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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