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1311254-94-0 molecular structure
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(1R)-1-(3-fluoropyridin-2-yl)ethan-1-amine hydrochloride

ChemBase ID: 169250
Molecular Formular: C7H10ClFN2
Molecular Mass: 176.6191032
Monoisotopic Mass: 176.05165423
SMILES and InChIs

SMILES:
c1cc(c(nc1)[C@H](N)C)F.Cl
Canonical SMILES:
C[C@H](c1ncccc1F)N.Cl
InChI:
InChI=1S/C7H9FN2.ClH/c1-5(9)7-6(8)3-2-4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m1./s1
InChIKey:
MPEHHZCSUKROFX-NUBCRITNSA-N

Cite this record

CBID:169250 http://www.chembase.cn/molecule-169250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-1-(3-fluoropyridin-2-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
(1R)-1-(3-fluoropyridin-2-yl)ethanamine hydrochloride
Synonyms
(αR)-3-Fluoro-α-methyl-2-pyridinemethanamine Hydrochloride
(1R)-1-(3-Fluororopyridin-2-yl)ethanamine Hydrochloride
(R)-1-(3-Fluororopyridin-2-yl)ethylamine Hydrochloride
CAS Number
1311254-94-0
PubChem SID
162263382
PubChem CID
53487492

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC F595860 external link Add to cart
PubChem 53487492 external link
Data Source Data ID Price
TRC
F595860 external link Add to cart Please log in.
Data Source Data ID
PubChem 53487492 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9561313  LogD (pH = 7.4) -0.31663245 
Log P 0.67427987  Molar Refractivity 36.5626 cm3
Polarizability 14.299494 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F595860 external link
A chiral fluoro-pyridine derivative used in the preparation of dihydropyrrolopyrimidinone derivatives for use as MARK inhibitors.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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