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64690-19-3 molecular structure
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N-octylpyridin-4-amine

ChemBase ID: 70199
Molecular Formular: C13H22N2
Molecular Mass: 206.32718
Monoisotopic Mass: 206.17829871
SMILES and InChIs

SMILES:
c1cc(ccn1)NCCCCCCCC
Canonical SMILES:
CCCCCCCCNc1ccncc1
InChI:
InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
InChIKey:
RHDWCSIBVZKRRU-UHFFFAOYSA-N

Cite this record

CBID:70199 http://www.chembase.cn/molecule-70199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-octylpyridin-4-amine
IUPAC Traditional name
N-octylpyridin-4-amine
Synonyms
4-(Octylamino)pyridine
N-Octyl-4-pyridinamine
4-(Octylamino)pyridine
N-Octylpyridin-4-amine
CAS Number
64690-19-3
MDL Number
MFCD09743883
PubChem SID
162035922
PubChem CID
3017535

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3469563  LogD (pH = 7.4) 2.4614704 
Log P 3.3305252  Molar Refractivity 66.3725 cm3
Polarizability 25.327204 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - O293950 external link
N-Octylpyridin-4-amine is used in the synthesis of antimicrobial agent Octenidine (O239150), as chelating agent.

REFERENCES

REFERENCES

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  • • Bailey, D.M., et al.: J. Med. Chem., 27, 1457 (1984)
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PATENTS

PATENTS

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INTERNET

INTERNET

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