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69008-70-4 molecular structure
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N,N-dipropylpyridin-4-amine

ChemBase ID: 289785
Molecular Formular: C11H18N2
Molecular Mass: 178.27402
Monoisotopic Mass: 178.14699859
SMILES and InChIs

SMILES:
CCCN(CCC)c1ccncc1
Canonical SMILES:
CCCN(c1ccncc1)CCC
InChI:
InChI=1S/C11H18N2/c1-3-9-13(10-4-2)11-5-7-12-8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKey:
QERPFDRCBSOYMF-UHFFFAOYSA-N

Cite this record

CBID:289785 http://www.chembase.cn/molecule-289785.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dipropylpyridin-4-amine
IUPAC Traditional name
N,N-dipropylpyridin-4-amine
Synonyms
N,N-Dipropylpyridin-4-amine
CAS Number
69008-70-4
MDL Number
MFCD12913578
PubChem SID
180675316
PubChem CID
12450718

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226014 Please log in.
Data Source Data ID
PubChem 12450718 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.639224  LogD (pH = 7.4) 1.7812833 
Log P 2.622278  Molar Refractivity 56.8749 cm3
Polarizability 21.633904 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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