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58061-48-6 molecular structure
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butyl(pyridin-2-ylmethyl)amine

ChemBase ID: 312551
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
n1c(CNCCCC)cccc1
Canonical SMILES:
CCCCNCc1ccccn1
InChI:
InChI=1S/C10H16N2/c1-2-3-7-11-9-10-6-4-5-8-12-10/h4-6,8,11H,2-3,7,9H2,1H3
InChIKey:
YIHVRGYQUTZXNL-UHFFFAOYSA-N

Cite this record

CBID:312551 http://www.chembase.cn/molecule-312551.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl(pyridin-2-ylmethyl)amine
IUPAC Traditional name
butyl(pyridin-2-ylmethyl)amine
Synonyms
N-(2-pyridinylmethyl)-1-butanamine
CAS Number
58061-48-6
MDL Number
MFCD07407937

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9071532 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) -1.2059824  LogD (pH = 7.4) 0.39275002 
Log P 1.7192931  Molar Refractivity 50.5005 cm3
Polarizability 20.190737 Å3 Polar Surface Area 24.92 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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