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27854-90-6 molecular structure
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(1S)-1-(pyridin-2-yl)ethan-1-amine

ChemBase ID: 797267
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
[C@@H](C)(N)c1ncccc1
Canonical SMILES:
C[C@@H](c1ccccn1)N
InChI:
InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3/t6-/m0/s1
InChIKey:
PDNHLCRMUIGNBV-LURJTMIESA-N

Cite this record

CBID:797267 http://www.chembase.cn/molecule-797267.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S)-1-(pyridin-2-yl)ethan-1-amine
IUPAC Traditional name
(1S)-1-(pyridin-2-yl)ethanamine
Synonyms
(S)-1-(Pyridin-2-yl)ethanaMine
CAS Number
27854-90-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6579 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6579 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) -2.3010938  LogD (pH = 7.4) -0.8411685 
Log P 0.53157794  Molar Refractivity 36.3462 cm3
Polarizability 14.650816 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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