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4013-98-3,MFCD29477801
Catalog No.:AA00CLP6

4013-98-3 | N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98.0%(GC)(T)
2 weeks  
$148.00   $103.00
- +
5g
>98.0%(GC)(T)
2 weeks  
$341.00   $239.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00CLP6
Chemical Name:
N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate
CAS Number:
4013-98-3
Molecular Formula:
C14H28N2
Molecular Weight:
224.3855
MDL Number:
MFCD29477801
SMILES:
C1CCC(CC1)NCCNC1CCCCC1
NSC Number:
119571
Properties
Computed Properties
 
Complexity:
150  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Downstream Synthesis Route

[1]Krupinska;Piotrowicz;Cebo;Stypula;Bronisz;Bobranski;Stankiewicz[Farmaco,EdizioneScientifica,1985,vol.40,#8,p.581-588]

[2]CurrentPatentAssignee:BASFSE-US4369321,1983,A

[1]Narasimhan;Balakumar[SyntheticCommunications,2000,vol.30,#23,p.4387-4395]

[2]Adams,MattR.;Tien,Chieh-Hung;Huchenski,BlakeS.N.;Ferguson,MichaelJ.;Speed,AlexanderW.H.[AngewandteChemie-InternationalEdition,2017,vol.56,#22,p.6268-6271][Angew.Chem.,2017,vol.129,#22,p.6364-6367,4]

[3]Pölker,Jennifer;Schaarschmidt,Dieter;Bernauer,Josef;Villa,Matteo;JacobivonWangelin,Axel[ChemCatChem,2022,vol.14,#15]

[4]Ledoux,Nele;Allaert,Bart;Pattyn,Siegfried;Mierde,HansVander;Vercaemst,Carl;Verpoort,Francis[Chemistry-AEuropeanJournal,2006,vol.12,#17,p.4654-4661]

[5]Locationinpatent:schemeortableNomura,Kotohiro;Fukuda,Hiroya;Katao,Shohei;Fujiki,Michiya;Kim,HyunJoon;Kim,Dong-Hyun;Zhang,Shu[DaltonTransactions,2011,vol.40,#31,p.7842-7849]

[1]Strotmann,Markus;Butenschoen,Holger[EuropeanJournalofOrganicChemistry,2000,#12,p.2273-2284]

[1]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

[2]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

[3]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

[4]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

4013-98-3    125971-95-1   
CASUnavailable 

[1]CurrentPatentAssignee:ORCHIDPHARMALTD-WO2011/89559,2011,A1Locationinpatent:Page/Pagecolumn11;12

Literature

Title: Structure-activity studies leading to ethambutol, a new type of antituberculous compound.

Journal: Annals of the New York Academy of Sciences 19660420

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SDS
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Tags:4013-98-3 Molecular Formula|4013-98-3 MDL|4013-98-3 SMILES|4013-98-3 N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate
Catalog No.: AA00CLP6
4013-98-3,MFCD29477801
4013-98-3 | N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate
Pack Size： 1g
Purity： >98.0%(GC)(T)
2 weeks
$148.00 $103.00
Pack Size： 5g
Purity： >98.0%(GC)(T)
2 weeks
$341.00 $239.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00CLP6
Chemical Name: N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate
CAS Number: 4013-98-3
Molecular Formula: C14H28N2
Molecular Weight: 224.3855
MDL Number: MFCD29477801
SMILES: C1CCC(CC1)NCCNC1CCCCC1
NSC Number: 119571
Properties
Complexity: 150  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Downstream Synthesis Route
4013-98-3    541-41-3    79316-89-5 

[1]Krupinska;Piotrowicz;Cebo;Stypula;Bronisz;Bobranski;Stankiewicz[Farmaco,EdizioneScientifica,1985,vol.40,#8,p.581-588]

[2]CurrentPatentAssignee:BASFSE-US4369321,1983,A

3673-06-1    4013-98-3 

[1]Narasimhan;Balakumar[SyntheticCommunications,2000,vol.30,#23,p.4387-4395]

[2]Adams,MattR.;Tien,Chieh-Hung;Huchenski,BlakeS.N.;Ferguson,MichaelJ.;Speed,AlexanderW.H.[AngewandteChemie-InternationalEdition,2017,vol.56,#22,p.6268-6271][Angew.Chem.,2017,vol.129,#22,p.6364-6367,4]

[3]Pölker,Jennifer;Schaarschmidt,Dieter;Bernauer,Josef;Villa,Matteo;JacobivonWangelin,Axel[ChemCatChem,2022,vol.14,#15]

[4]Ledoux,Nele;Allaert,Bart;Pattyn,Siegfried;Mierde,HansVander;Vercaemst,Carl;Verpoort,Francis[Chemistry-AEuropeanJournal,2006,vol.12,#17,p.4654-4661]

[5]Locationinpatent:schemeortableNomura,Kotohiro;Fukuda,Hiroya;Katao,Shohei;Fujiki,Michiya;Kim,HyunJoon;Kim,Dong-Hyun;Zhang,Shu[DaltonTransactions,2011,vol.40,#31,p.7842-7849]

28227-38-5    4013-98-3 

[1]Strotmann,Markus;Butenschoen,Holger[EuropeanJournalofOrganicChemistry,2000,#12,p.2273-2284]

4013-98-3    79349-82-9    143183-03-3    865411-26-3 

[1]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

[2]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

[3]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

[4]Patent:US2005/215781,2005,A1.Locationinpatent:Page/Pagecolumn2;4

4013-98-3    125971-95-1   
CASUnavailable 

[1]CurrentPatentAssignee:ORCHIDPHARMALTD-WO2011/89559,2011,A1Locationinpatent:Page/Pagecolumn11;12

Literature fold

Title: Structure-activity studies leading to ethambutol, a new type of antituberculous compound.

Journal: Annals of the New York Academy of Sciences19660420

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