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856930-04-6 molecular structure
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(5,6-dimethylpyridin-3-yl)methanamine

ChemBase ID: 309005
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
n1c(c(cc(c1)CN)C)C
Canonical SMILES:
NCc1cnc(c(c1)C)C
InChI:
InChI=1S/C8H12N2/c1-6-3-8(4-9)5-10-7(6)2/h3,5H,4,9H2,1-2H3
InChIKey:
OGPPCWKRQPEFRP-UHFFFAOYSA-N

Cite this record

CBID:309005 http://www.chembase.cn/molecule-309005.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5,6-dimethylpyridin-3-yl)methanamine
IUPAC Traditional name
(5,6-dimethylpyridin-3-yl)methanamine
Synonyms
1-(5,6-dimethyl-3-pyridinyl)methanamine
CAS Number
856930-04-6
MDL Number
MFCD14702867

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4035699 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) -2.4595313  LogD (pH = 7.4) -1.3114872 
Log P 0.52613336  Molar Refractivity 42.0072 cm3
Polarizability 16.337736 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

INTERNET

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