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N1-[2-[(1,3-Dimethylbutylidene)amino]ethyl]-N2-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]-1,2-ethanediamine

HCID 86087
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Basic information

CAS
16888-78-1
Standard SMILES
CC(CC(C)C)=NCCNCCNCCNCCN=C(C)CC(C)C
InChIKey
PVXILHYGUROBHU-UHFFFAOYSA-N
Molecular formula
C20H43N5
Average molar mass
353.6 g/mol
Monoisotopic mass
353.35184639

Names & identifiers

Preferred name
N1-[2-[(1,3-Dimethylbutylidene)amino]ethyl]-N2-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]-1,2-ethanediamine
IUPAC
N'-[2-(4-methylpentan-2-ylideneamino)ethyl]-N-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine
English name
1,13-Bis(1,3-dimethylbutylidene)-1,4,7,10,13-pentaazatridecane
Molecular formula
C20H43N5
Molecular weight
353.59

Names & synonyms

16888-78-1N1-(2-((1,3-Dimethylbutylidene)amino)ethyl)-N2-(2-((2-((1,3-dimethylbutylidene)amino)ethyl)amino)ethyl)-1,2-ethanediamineN1-[2-[(1,3-Dimethylbutylidene)amino]ethyl]-N2-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]-1,2-ethanediamineRefChem:3650741,2-Ethanediamine, N-(2-((1,3-dimethylbutylidene)amino)ethyl)-N'-(2-((2-((1,3-dimethylbutylidene)amino)ethyl)amino)ethyl)-1,2-Ethanediamine, N-[2-[(1,3-dimethylbutylidene)amino]ethyl]-N'-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]-PVXILHYGUROBHU-UHFFFAOYSA-NN'-[2-(4-methylpentan-2-ylideneamino)ethyl]-N-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamineDTXSID40661271,2-Ethanediamine, N1-(2-((1,3-dimethylbutylidene)amino)ethyl)-N2-(2-((2-((1,3-dimethylbutylidene)amino)ethyl)amino)ethyl)-N~1~-{2-[(4-Methylpentan-2-ylidene)amino]ethyl}-N~2~-[2-({2-[(4-methylpentan-2-ylidene)amino]ethyl}amino)ethyl]ethane-1,2-diamine1,13-Bis(1,3-dimethylbutylidene)-1,4,7,10,13-pentaazatridecane

Properties

Computed structural propertiesFilling in

XLogP
1.1
Topological polar surface area
60.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
16
Heavy atoms
25
Formal charge
0
Complexity
327

Physicochemical properties

EPA Substance Registry System
1 · 1,2-Ethanediamine, N-[2-[(1,3-dimethylbutylidene)amino]ethyl]-N'-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]- (16888-78-1)
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.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Ethanediamine, N1-[2-[(1,3-dimethylbutylidene)amino]ethyl]-N2-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]-: ACTIVE

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Compound notes

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Show more names
1,2-Ethanediamine, N1-[2-[(1,3-dimethylbutylidene)amino]ethyl]-N2-[2-[[2-[(1,3-dimethylbutylidene)amino]ethyl]amino]ethyl]-

Database identifiers

CAS
16888-78-1
PubChem CID
86087
DTXSID
DTXSID4066127
Nikkaji
J421.981C