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91010-46-7 molecular structure
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butyl(pyridin-4-ylmethyl)amine

ChemBase ID: 312660
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
n1ccc(CNCCCC)cc1
Canonical SMILES:
CCCCNCc1ccncc1
InChI:
InChI=1S/C10H16N2/c1-2-3-6-12-9-10-4-7-11-8-5-10/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKey:
PFDJBAFCDODEGG-UHFFFAOYSA-N

Cite this record

CBID:312660 http://www.chembase.cn/molecule-312660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl(pyridin-4-ylmethyl)amine
IUPAC Traditional name
butyl(pyridin-4-ylmethyl)amine
Synonyms
N-(4-pyridinylmethyl)-1-butanamine
CAS Number
91010-46-7
MDL Number
MFCD07409925

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9071932 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) -1.5472172  LogD (pH = 7.4) -0.5163681 
Log P 1.6378212  Molar Refractivity 51.0227 cm3
Polarizability 20.189604 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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