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617-19-6 molecular structure
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3-[2-(6-butoxypyridin-3-yl)diazen-1-yl]pyridine-2,6-diamine

ChemBase ID: 108143
Molecular Formular: C14H18N6O
Molecular Mass: 286.33232
Monoisotopic Mass: 286.15420923
SMILES and InChIs

SMILES:
CCCCOc1ncc(cc1)/N=N/c1c(N)nc(N)cc1
Canonical SMILES:
CCCCOc1ccc(cn1)/N=N/c1ccc(nc1N)N
InChI:
InChI=1S/C14H18N6O/c1-2-3-8-21-13-7-4-10(9-17-13)19-20-11-5-6-12(15)18-14(11)16/h4-7,9H,2-3,8H2,1H3,(H4,15,16,18)
InChIKey:
WAWDOEHEAULMGC-UHFFFAOYSA-N

Cite this record

CBID:108143 http://www.chembase.cn/molecule-108143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(6-butoxypyridin-3-yl)diazen-1-yl]pyridine-2,6-diamine
IUPAC Traditional name
3-[2-(6-butoxypyridin-3-yl)diazen-1-yl]pyridine-2,6-diamine
Synonyms
2'-BUTOXY-2,6-DIAMINO-3,5'-AZOPYRIDINE
CAS Number
617-19-6
EC Number
210-506-5
PubChem SID
162093978
PubChem CID
96213

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
MP Biomedicals
05206232 external link Add to cart Please log in.
Data Source Data ID
PubChem 96213 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.844923  H Acceptors
H Donor LogD (pH = 5.5) 1.9499437 
LogD (pH = 7.4) 3.127489  Log P 3.235543 
Molar Refractivity 86.7413 cm3 Polarizability 30.109344 Å3
Polar Surface Area 111.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05206232 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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