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25077-82-1 molecular structure
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(2-aminoethyl)bis(prop-2-en-1-yl)amine

ChemBase ID: 10681
Molecular Formular: C8H16N2
Molecular Mass: 140.22604
Monoisotopic Mass: 140.13134852
SMILES and InChIs

SMILES:
C(=C)CN(CC=C)CCN
Canonical SMILES:
NCCN(CC=C)CC=C
InChI:
InChI=1S/C8H16N2/c1-3-6-10(7-4-2)8-5-9/h3-4H,1-2,5-9H2
InChIKey:
CHWMPPNDIBLYMB-UHFFFAOYSA-N

Cite this record

CBID:10681 http://www.chembase.cn/molecule-10681.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)bis(prop-2-en-1-yl)amine
IUPAC Traditional name
(2-aminoethyl)bis(prop-2-en-1-yl)amine
Synonyms
2-(Diallylamino)ethylamine
CAS Number
25077-82-1
MDL Number
MFCD03452794
PubChem SID
160973988
PubChem CID
3741236

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
007545 external link Add to cart Please log in.
Data Source Data ID
PubChem 3741236 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0293584  LogD (pH = 7.4) -1.1643634 
Log P 0.8556853  Molar Refractivity 46.2633 cm3
Polarizability 18.090437 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
IRRITANT, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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