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5458-99-1,MFCD00154406
Catalog No.:AA00DGRK

5458-99-1 | 3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$67.00   $47.00
- +
1g
95%
in stock  
$152.00   $106.00
- +
5g
95%
in stock  
$538.00   $377.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DGRK
Chemical Name:
3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID
CAS Number:
5458-99-1
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
MDL Number:
MFCD00154406
SMILES:
OCCNCCC(=O)O
Properties
Computed Properties
 
Complexity:
84.3  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-3.7  

Downstream Synthesis Route

[1]Greshametal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.3168,3171]

[1]Locationinpatent:schemeortableDokichev;Latypova;Biglova;Talipov[DokladyChemistry,2010,vol.430,#2,p.47-49]

[2]Pestov,AlexanderV.;Peresypkina,EugeniaV.;Virovets,AlexanderV.;Podberezskaya,NinaV.;Yatluk,YuryG.;Skorik,YuryA.[ActaCrystallographica,SectionC:CrystalStructureCommunications,2005,vol.61,#12,p.m510-m512]

[3]Zilkha,A.etal.[JournalofOrganicChemistry,1961,vol.26,p.376-380]

[4]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-US2195974,1937,A

[1]Kobayashi,Susumu;Iimori,Takamasa;Izawa,Toshio;Ohno,Masaji[JournaloftheAmericanChemicalSociety,1981,vol.103,#9,p.2406-2408]

5458-99-1    24424-99-5   
3-(tert-butoxycarbonyl)(2-hydroxyethyl)aminopropanoicacid 

[1]CurrentPatentAssignee:ABBVIEINC-US6921763,2005,B2

5458-99-1    24424-99-5   
3-(tert-butoxycarbonyl)(2-hydroxyethyl)aminopropanoicacid 
  330788-60-8 

[1]CurrentPatentAssignee:ABBVIEINC-US2002/156081,2002,A1

Literature
Quotation Request
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SDS
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Tags:5458-99-1 Molecular Formula|5458-99-1 MDL|5458-99-1 SMILES|5458-99-1 3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID
Catalog No.: AA00DGRK
5458-99-1,MFCD00154406
5458-99-1 | 3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID
Pack Size： 250mg
Purity： 95%
in stock
$67.00 $47.00
Pack Size： 1g
Purity： 95%
in stock
$152.00 $106.00
Pack Size： 5g
Purity： 95%
in stock
$538.00 $377.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DGRK
Chemical Name: 3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID
CAS Number: 5458-99-1
Molecular Formula: C5H11NO3
Molecular Weight: 133.1457
MDL Number: MFCD00154406
SMILES: OCCNCCC(=O)O
Properties
Complexity: 84.3  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -3.7  
Downstream Synthesis Route
57-57-8    141-43-5    5458-99-1 

[1]Greshametal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.3168,3171]

141-43-5    79-10-7    5458-99-1 

[1]Locationinpatent:schemeortableDokichev;Latypova;Biglova;Talipov[DokladyChemistry,2010,vol.430,#2,p.47-49]

[2]Pestov,AlexanderV.;Peresypkina,EugeniaV.;Virovets,AlexanderV.;Podberezskaya,NinaV.;Yatluk,YuryG.;Skorik,YuryA.[ActaCrystallographica,SectionC:CrystalStructureCommunications,2005,vol.61,#12,p.m510-m512]

[3]Zilkha,A.etal.[JournalofOrganicChemistry,1961,vol.26,p.376-380]

[4]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-US2195974,1937,A

5458-99-1    77897-83-7 

[1]Kobayashi,Susumu;Iimori,Takamasa;Izawa,Toshio;Ohno,Masaji[JournaloftheAmericanChemicalSociety,1981,vol.103,#9,p.2406-2408]

5458-99-1    24424-99-5   
3-(tert-butoxycarbonyl)(2-hydroxyethyl)aminopropanoicacid 

[1]CurrentPatentAssignee:ABBVIEINC-US6921763,2005,B2

5458-99-1    24424-99-5   
3-(tert-butoxycarbonyl)(2-hydroxyethyl)aminopropanoicacid 
  330788-60-8 

[1]CurrentPatentAssignee:ABBVIEINC-US2002/156081,2002,A1

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