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34987-15-0 molecular structure
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(5-aminopentyl)diethylamine

ChemBase ID: 10694
Molecular Formular: C9H22N2
Molecular Mass: 158.28438
Monoisotopic Mass: 158.17829871
SMILES and InChIs

SMILES:
C(N(CC)CCCCCN)C
Canonical SMILES:
NCCCCCN(CC)CC
InChI:
InChI=1S/C9H22N2/c1-3-11(4-2)9-7-5-6-8-10/h3-10H2,1-2H3
InChIKey:
JYCCKJSLUHEIDU-UHFFFAOYSA-N

Cite this record

CBID:10694 http://www.chembase.cn/molecule-10694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-aminopentyl)diethylamine
IUPAC Traditional name
(5-aminopentyl)diethylamine
Synonyms
5-DIETHYLAMINOAMYLAMINE
5-(Diethylamino)pentylamine
CAS Number
34987-15-0
MDL Number
MFCD00047979
PubChem SID
160974001
PubChem CID
4584949

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4584949 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.3766065  LogD (pH = 7.4) -4.299795 
Log P 1.1286926  Molar Refractivity 51.5461 cm3
Polarizability 20.399456 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
CORROSIVE expand Show data source
RTECS
XE1900000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
R:25 expand Show data source
Safety Statements
S:28-36/37/39-45-53 expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05212124 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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