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Cyanoethyldiethylenetriamine

HCID 79830
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Basic information

CAS
5760-73-6
Standard SMILES
N#CCCNCCNCCN
InChIKey
ORTUYCUWCKNIND-UHFFFAOYSA-N
Molecular formula
C7H16N4
Average molar mass
156.23 g/mol
Monoisotopic mass
156.13749653

Names & identifiers

Preferred name
Cyanoethyldiethylenetriamine
IUPAC
3-[2-(2-aminoethylamino)ethylamino]propanenitrile
English name
3-[[2-[(2-aminoethyl)amino]ethyl]amino]propiononitrile
Molecular formula
C7H16N4
Molecular weight
156.22874

Names & synonyms

CyanoethyldiethylenetriamineLauryldiethylenetriamineUP 0633MDiethylenetriamine, dodecyl-EINECS 227-280-9BRN 1931861X37GJT0706Propanenitrile, 3-((2-((2-aminoethyl)amino)ethyl)amino)-Propanenitrile, 3-[[2-[(2-aminoethyl)amino]ethyl]amino]-3-((2-((2-Aminoethyl)amino)ethyl)amino)propionitrile3-[[2-[(2-aminoethyl)amino]ethyl]amino]propiononitrileN-(2-Aminoethyl)-N'-(2-cyanoethyl)-1,2-ethanediamine
Show more names
UP-0633M3-[[2-[(2-Aminoethyl)amino]ethyl]amino]propanenitrile
Propionitrile, 3-((2-((2-aminoethyl)amino)ethyl)amino)-DTXSID00639993-((2-((2-Aminoethyl)amino)ethyl)amino)propiononitrileRefChem:580148DTXCID0042244Propionitrile, 3-((2-((2-aminoethyl)amino)ethyl)amino)-(8CI)5760-73-63-({2-[(2-aminoethyl)amino]ethyl}amino)propanenitrile

Database identifiers

CAS
5760-73-6
PubChem CID
79830
DTXSID
DTXSID0063999
UNII
X37GJT0706
EC Number
227-280-9
Nikkaji
J13.384A

Properties

Computed structural properties

XLogP
-1.9
Topological polar surface area
73.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
11
Formal charge
0
Complexity
115

Physicochemical properties

FDA UNII
37 GJT0706 · X37GJT0706
EPA Substance Registry System
3 · Propanenitrile, 3-[[2-[(2-aminoethyl)amino]ethyl]amino]- (5760-73-6)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanenitrile, 3-[[2-[(2-aminoethyl)amino]ethyl]amino]-: ACTIVE

Related reactions

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Compound notes

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