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1011470-15-7 molecular structure
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1-(2-methylpyridin-4-yl)ethan-1-amine

ChemBase ID: 814720
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
C(C)(N)c1cc(ncc1)C
Canonical SMILES:
Cc1nccc(c1)C(N)C
InChI:
InChI=1S/C8H12N2/c1-6-5-8(7(2)9)3-4-10-6/h3-5,7H,9H2,1-2H3
InChIKey:
WALYOUZSNROLAP-UHFFFAOYSA-N

Cite this record

CBID:814720 http://www.chembase.cn/molecule-814720.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methylpyridin-4-yl)ethan-1-amine
IUPAC Traditional name
1-(2-methylpyridin-4-yl)ethanamine
Synonyms
1-(2-methylpyridin-4-yl)ethanamine
CAS Number
1011470-15-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36946 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36946 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) -2.574252  LogD (pH = 7.4) -1.67974 
Log P 0.42928702  Molar Refractivity 41.3848 cm3
Polarizability 16.416643 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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