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851670-19-4 molecular structure
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2-(3-methylpyridin-2-yl)ethan-1-amine

ChemBase ID: 306640
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
n1c(c(C)ccc1)CCN
Canonical SMILES:
NCCc1ncccc1C
InChI:
InChI=1S/C8H12N2/c1-7-3-2-6-10-8(7)4-5-9/h2-3,6H,4-5,9H2,1H3
InChIKey:
DZBIXJNIABTHHX-UHFFFAOYSA-N

Cite this record

CBID:306640 http://www.chembase.cn/molecule-306640.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methylpyridin-2-yl)ethan-1-amine
IUPAC Traditional name
2-(3-methylpyridin-2-yl)ethanamine
Synonyms
2-(3-methylpyridin-2-yl)ethanamine
CAS Number
851670-19-4
MDL Number
MFCD07367941

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4002940 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3201528  LogD (pH = 7.4) -1.444963 
Log P 0.71324784  Molar Refractivity 41.5929 cm3
Polarizability 16.340956 Å3 Polar Surface Area 38.91 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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