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209803-40-7 molecular structure
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(5-aminopentyl)bis(propan-2-yl)amine

ChemBase ID: 10701
Molecular Formular: C11H26N2
Molecular Mass: 186.33754
Monoisotopic Mass: 186.20959884
SMILES and InChIs

SMILES:
N(CCCCCN)(C(C)C)C(C)C
Canonical SMILES:
NCCCCCN(C(C)C)C(C)C
InChI:
InChI=1S/C11H26N2/c1-10(2)13(11(3)4)9-7-5-6-8-12/h10-11H,5-9,12H2,1-4H3
InChIKey:
CIFBCEXYFFKMEB-UHFFFAOYSA-N

Cite this record

CBID:10701 http://www.chembase.cn/molecule-10701.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-aminopentyl)bis(propan-2-yl)amine
IUPAC Traditional name
(5-aminopentyl)diisopropylamine
Synonyms
5-(Diisopropylamino)amylamine
5-(Diisopropylamino)pentylamine
N,N-Diisopropyl-1,5-pentanediamine
5-(Diisopropylamino)amylamine
N,N-二异丙基-1,5-戊二胺
CAS Number
209803-40-7
MDL Number
MFCD00048285
PubChem SID
160974008
PubChem CID
3790585

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3790585 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.557928  LogD (pH = 7.4) -3.8357973 
Log P 1.9618427  Molar Refractivity 60.3837 cm3
Polarizability 24.093277 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
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
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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