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50738-63-1,MFCD12965034
Catalog No.:AA00DHU6

50738-63-1 | methyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$162.00   $114.00
- +
1g
96%
in stock  
$393.00   $275.00
- +
5g
96%
in stock  
$1,154.00   $808.00
- +
10g
96%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DHU6
Chemical Name:
methyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate
CAS Number:
50738-63-1
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD12965034
SMILES:
NC[C@@H]1CC[C@H](CC1)C(=O)OC
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Okano;Inaoka;Funabashi;Iwamoto;Isoda[Journalofmedicinalchemistry,1972,vol.15,#3,p.247-255]

[2]Costanzo,MichaelJ.;AlmondJr.,HaroldR.;Hecker,LeonardR.;Schott,MaryR.;Yabut,StephenC.;Zhang,Han-Cheng;Andrade-Gordon,Patricia;Corcoran,ThomasW.;Giardino,EdwardC.;Kauffman,JackA.;Lewis,JoanM.;DeGaravilla,Lawrence;Haertlein,BarbaraJ.;Maryanoff,BruceE.[JournalofMedicinalChemistry,2005,vol.48,#6,p.1984-2008]

[3]CurrentPatentAssignee:CENTRALMICHIGANUNIVERSITY;UNIVERSITYOFMICHIGAN-WO2007/87256,2007,A2Locationinpatent:Page/Pagecolumn28

[4]Jukič,Marko;Ilaš,Janez;Brvar,Matjaž;Kikelj,Danijel;Cesar,Jožko;Anderluh,Marko[EuropeanJournalofMedicinalChemistry,2017,vol.125,p.500-514]

[5]Liao,Chenzhong;Tian,Yongbin;Xie,Zhouling[Bioorganicandmedicinalchemistryletters,2020]

[1]JournalofMedicinalChemistry,2005,vol.48,p.1984-2008

38256-93-8    50738-63-1    49845-33-2   
trans-4-({2-(2-methoxy-ethyl)-methyl-amino-5-nitro-pyrimidin-4-ylamino}-methyl)-cyclohexanecarboxylicacidmethylester 

[1]Patent:US2014/5164,2014,A1.Locationinpatent:Paragraph0338-0341

[1]Patent:US2014/5164,2014,A1.Locationinpatent:Paragraph0280-0283

Literature
Quotation Request
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SDS
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Tags:50738-63-1 Molecular Formula|50738-63-1 MDL|50738-63-1 SMILES|50738-63-1 methyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate
Catalog No.: AA00DHU6
50738-63-1,MFCD12965034
50738-63-1 | methyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate
Pack Size： 250mg
Purity： 96%
in stock
$162.00 $114.00
Pack Size： 1g
Purity： 96%
in stock
$393.00 $275.00
Pack Size： 5g
Purity： 96%
in stock
$1,154.00 $808.00
Pack Size： 10g
Purity： 96%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DHU6
Chemical Name: methyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate
CAS Number: 50738-63-1
Molecular Formula: C9H17NO2
Molecular Weight: 171.2368
MDL Number: MFCD12965034
SMILES: NC[C@@H]1CC[C@H](CC1)C(=O)OC
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 151  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
67-56-1    1197-18-8    50738-63-1 

[1]Okano;Inaoka;Funabashi;Iwamoto;Isoda[Journalofmedicinalchemistry,1972,vol.15,#3,p.247-255]

[2]Costanzo,MichaelJ.;AlmondJr.,HaroldR.;Hecker,LeonardR.;Schott,MaryR.;Yabut,StephenC.;Zhang,Han-Cheng;Andrade-Gordon,Patricia;Corcoran,ThomasW.;Giardino,EdwardC.;Kauffman,JackA.;Lewis,JoanM.;DeGaravilla,Lawrence;Haertlein,BarbaraJ.;Maryanoff,BruceE.[JournalofMedicinalChemistry,2005,vol.48,#6,p.1984-2008]

[3]CurrentPatentAssignee:CENTRALMICHIGANUNIVERSITY;UNIVERSITYOFMICHIGAN-WO2007/87256,2007,A2Locationinpatent:Page/Pagecolumn28

[4]Jukič,Marko;Ilaš,Janez;Brvar,Matjaž;Kikelj,Danijel;Cesar,Jožko;Anderluh,Marko[EuropeanJournalofMedicinalChemistry,2017,vol.125,p.500-514]

[5]Liao,Chenzhong;Tian,Yongbin;Xie,Zhouling[Bioorganicandmedicinalchemistryletters,2020]

50738-63-1    80745-07-9    804547-76-0 

[1]JournalofMedicinalChemistry,2005,vol.48,p.1984-2008

38256-93-8    50738-63-1    49845-33-2   
trans-4-({2-(2-methoxy-ethyl)-methyl-amino-5-nitro-pyrimidin-4-ylamino}-methyl)-cyclohexanecarboxylicacidmethylester 

[1]Patent:US2014/5164,2014,A1.Locationinpatent:Paragraph0338-0341

55304-80-8    50738-63-1    1402008-28-9 

[1]Patent:US2014/5164,2014,A1.Locationinpatent:Paragraph0280-0283

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