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6287-40-7 molecular structure
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dibutylamine hydrochloride

ChemBase ID: 69535
Molecular Formular: C8H20ClN
Molecular Mass: 165.7041
Monoisotopic Mass: 165.12842733
SMILES and InChIs

SMILES:
N(CCCC)CCCC.Cl
Canonical SMILES:
CCCCNCCCC.Cl
InChI:
InChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H
InChIKey:
ODYNBECIRXXOGG-UHFFFAOYSA-N

Cite this record

CBID:69535 http://www.chembase.cn/molecule-69535.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibutylamine hydrochloride
IUPAC Traditional name
dibutylamine hydrochloride
Synonyms
Dibutylamine hydrochloride
CAS Number
6287-40-7
MDL Number
MFCD00034885
PubChem SID
162035261
PubChem CID
3083954

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3083954 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.78286564  LogD (pH = 7.4) -0.5371046 
Log P 2.4549196  Molar Refractivity 42.4406 cm3
Polarizability 17.036163 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.656 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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