54998-08-2,MFCD03001209
Catalog No.:AA00DCHE

54998-08-2 | 4-(4-Methylpiperazino)-1,2-benzenediamine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$112.00   $78.00
- +
1g
97%
in stock  
$329.00   $230.00
- +
5g
95%
in stock  
$956.00 $669.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DCHE
Chemical Name:
4-(4-Methylpiperazino)-1,2-benzenediamine
CAS Number:
54998-08-2
Molecular Formula:
C11H18N4
Molecular Weight:
206.2874
MDL Number:
MFCD03001209
SMILES:
CN1CCN(CC1)c1ccc(c(c1)N)N
Properties
Properties
 
BP:
419.7±45.0 °C(Predicted)  
Form:
Solid  
MP:
118-120°C  
Storage:
-20 ℃;Light sensitive;Inert atmosphere;  

Computed Properties
 
Complexity:
201  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Downstream Synthesis Route
ethyl2-(4-dimethylaminophenyl)-1H-benzimidazole-5-carboximidatehydrochloride 
  54998-08-2    23555-00-2 

[1]Kelly,DavidP.;Bateman,StuartA.;Hook,RobertJ.;Martin,RogerF.;Reum,MonicaE.;etal.[AustralianJournalofChemistry,1994,vol.47,#9,p.1751-1770]

[1]JungSunKim;Gatto;Yu;Liu;Liu;LaVoie[JournalofMedicinalChemistry,1996,vol.39,#4,p.992-998]

[1]JungSunKim;Gatto;Yu;Liu;Liu;LaVoie[JournalofMedicinalChemistry,1996,vol.39,#4,p.992-998]

54998-08-2    5235-10-9   
3-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl-1H-indazole 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.3595-3599

[1]Patent:US2008/293738,2008,A1.Locationinpatent:Page/Pagecolumn11;13-14

[2]Patent:US2008/293738,2008,A1.Locationinpatent:Page/Pagecolumn11;13

[3]Chimia,2006,vol.60,p.584-592

[4]Patent:WO2006/81445,2006,A2.Locationinpatent:Page/Pagecolumn39-41

[5]Patent:WO2006/125130,2006,A1.Locationinpatent:Page/Pagecolumn55;65-66

[6]Patent:WO2006/127926,2006,A2.Locationinpatent:Page/Pagecolumn65-67

[7]Patent:WO2006/124413,2006,A2.Locationinpatent:Page/Pagecolumn54-57

[8]Patent:WO2008/112509,2008,A1.Locationinpatent:Page/Pagecolumn29-31

[9]Patent:WO2005/82340,2005,A2.Locationinpatent:Page/Pagecolumn97

Literature
Quotation Request
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Additional Info:
SDS
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Tags:54998-08-2 Molecular Formula|54998-08-2 MDL|54998-08-2 SMILES|54998-08-2 4-(4-Methylpiperazino)-1,2-benzenediamine
Catalog No.: AA00DCHE
54998-08-2,MFCD03001209
54998-08-2 | 4-(4-Methylpiperazino)-1,2-benzenediamine
Pack Size: 250mg
Purity: 95%
in stock
$112.00 $78.00
Pack Size: 1g
Purity: 97%
in stock
$329.00 $230.00
Pack Size: 5g
Purity: 95%
in stock
$956.00 $669.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DCHE
Chemical Name: 4-(4-Methylpiperazino)-1,2-benzenediamine
CAS Number: 54998-08-2
Molecular Formula: C11H18N4
Molecular Weight: 206.2874
MDL Number: MFCD03001209
SMILES: CN1CCN(CC1)c1ccc(c(c1)N)N
Properties
BP: 419.7±45.0 °C(Predicted)  
Form: Solid  
MP: 118-120°C  
Storage: -20 ℃;Light sensitive;Inert atmosphere;  
Complexity: 201  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Downstream Synthesis Route
ethyl2-(4-dimethylaminophenyl)-1H-benzimidazole-5-carboximidatehydrochloride 
  54998-08-2    23555-00-2 

[1]Kelly,DavidP.;Bateman,StuartA.;Hook,RobertJ.;Martin,RogerF.;Reum,MonicaE.;etal.[AustralianJournalofChemistry,1994,vol.47,#9,p.1751-1770]

174648-26-1    54998-08-2    23491-54-5 

[1]JungSunKim;Gatto;Yu;Liu;Liu;LaVoie[JournalofMedicinalChemistry,1996,vol.39,#4,p.992-998]

174648-29-4    54998-08-2    23491-55-6 

[1]JungSunKim;Gatto;Yu;Liu;Liu;LaVoie[JournalofMedicinalChemistry,1996,vol.39,#4,p.992-998]

54998-08-2    5235-10-9   
3-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl-1H-indazole 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.3595-3599

2318-25-4    54998-08-2    402948-37-2 

[1]Patent:US2008/293738,2008,A1.Locationinpatent:Page/Pagecolumn11;13-14

[2]Patent:US2008/293738,2008,A1.Locationinpatent:Page/Pagecolumn11;13

[3]Chimia,2006,vol.60,p.584-592

[4]Patent:WO2006/81445,2006,A2.Locationinpatent:Page/Pagecolumn39-41

[5]Patent:WO2006/125130,2006,A1.Locationinpatent:Page/Pagecolumn55;65-66

[6]Patent:WO2006/127926,2006,A2.Locationinpatent:Page/Pagecolumn65-67

[7]Patent:WO2006/124413,2006,A2.Locationinpatent:Page/Pagecolumn54-57

[8]Patent:WO2008/112509,2008,A1.Locationinpatent:Page/Pagecolumn29-31

[9]Patent:WO2005/82340,2005,A2.Locationinpatent:Page/Pagecolumn97

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