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20280-10-8 molecular structure
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dibutyl[(dibutylamino)methyl]amine

ChemBase ID: 112388
Molecular Formular: C17H38N2
Molecular Mass: 270.49702
Monoisotopic Mass: 270.30349923
SMILES and InChIs

SMILES:
CCCCN(CCCC)CN(CCCC)CCCC
Canonical SMILES:
CCCCN(CN(CCCC)CCCC)CCCC
InChI:
InChI=1S/C17H38N2/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4/h5-17H2,1-4H3
InChIKey:
XHQHCZJKIMGMBY-UHFFFAOYSA-N

Cite this record

CBID:112388 http://www.chembase.cn/molecule-112388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibutyl[(dibutylamino)methyl]amine
IUPAC Traditional name
dibutyl[(dibutylamino)methyl]amine
Synonyms
TETRA-n-BUTYL METHYLENE DIAMINE
CAS Number
20280-10-8
PubChem SID
162097240
PubChem CID
88455

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05223704 external link Add to cart Please log in.
Data Source Data ID
PubChem 88455 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1736557  LogD (pH = 7.4) 4.2614503 
Log P 5.614511  Molar Refractivity 88.3111 cm3
Polarizability 35.175064 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

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 - 05223704 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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