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105-93-1 molecular structure
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ethyl(2-{ethyl[2-(ethylamino)ethyl]amino}ethyl)amine

ChemBase ID: 111413
Molecular Formular: C10H25N3
Molecular Mass: 187.3256
Monoisotopic Mass: 187.20484782
SMILES and InChIs

SMILES:
CCNCCN(CC)CCNCC
Canonical SMILES:
CCNCCN(CCNCC)CC
InChI:
InChI=1S/C10H25N3/c1-4-11-7-9-13(6-3)10-8-12-5-2/h11-12H,4-10H2,1-3H3
InChIKey:
ICDOTLXZHXEZNU-UHFFFAOYSA-N

Cite this record

CBID:111413 http://www.chembase.cn/molecule-111413.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl(2-{ethyl[2-(ethylamino)ethyl]amino}ethyl)amine
IUPAC Traditional name
ethyl(2-{ethyl[2-(ethylamino)ethyl]amino}ethyl)amine
Synonyms
1,4,7-TRIETHYLDIETHYLENETRIAMINE
CAS Number
105-93-1
EC Number
203-346-2
PubChem SID
162096730
PubChem CID
66931

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05219072 external link Add to cart Please log in.
Data Source Data ID
PubChem 66931 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.92322  LogD (pH = 7.4) -4.5191317 
Log P 0.5317865  Molar Refractivity 59.6827 cm3
Polarizability 23.764492 Å3 Polar Surface Area 27.3 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 - 05219072 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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