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13105-54-9,MFCD21858368
Catalog No.:AA0080ID

13105-54-9 | Carbamic acid,N-butyl-, 2-hydroxyethyl ester

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100mg
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1 week  
$351.00   $246.00
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250mg
98%
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$598.00   $419.00
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1g
98%
1 week  
$1,615.00   $1,131.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0080ID
Chemical Name:
Carbamic acid,N-butyl-, 2-hydroxyethyl ester
CAS Number:
13105-54-9
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
MDL Number:
MFCD21858368
SMILES:
CCCCNC(=O)OCCO
NSC Number:
29170
Properties
Computed Properties
 
Complexity:
106  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:UNIVERSITYSYSTEMOFOHIO-US2016/280807,2016,A1Locationinpatent:Paragraph0075

[2]Lavrov,V.I.etal.[JournalofappliedchemistryoftheUSSR,1978,vol.51,p.1087-1090][ZhurnalPrikladnoiKhimii(Sankt-Peterburg,RussianFederation),1978,vol.51,p.1133-1136]Lushchik,V.B.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1967,vol.3,#10,p.1699-1703][ZhurnalOrganicheskoiKhimii,1967,vol.3,#10,p.1741-1746]

[3]CurrentPatentAssignee:PTTPUBLICCOMPANYLIMITED-WO2004/52843,2004,A1Locationinpatent:Page33-34

[4]CurrentPatentAssignee:BASFSE-US7164037,2007,B2Locationinpatent:Page/Pagecolumn17

[5]Locationinpatent:experimentalpartJagtap,SachinR.;Patil,YogeshP.;Panda,AnilG.;Bhanage,BhalchandraM.[SyntheticCommunications,2009,vol.39,#12,p.2093-2100]

[6]Bakhshi,Hadi;Meyer,Wolfdietrich;Singh,Neelima[RSCAdvances,2020,vol.10,#72,p.44103-44110]

[7]Quienne,Baptiste;Poli,Rinaldo;Pinaud,Julien;Caillol,Sylvain[GreenChemistry,2021,vol.23,#4,p.1678-1690]

[1]Lavrov,V.I.etal.[JournalofappliedchemistryoftheUSSR,1978,vol.51,p.1087-1090][ZhurnalPrikladnoiKhimii(Sankt-Peterburg,RussianFederation),1978,vol.51,p.1133-1136]

[1]Lushchik,V.B.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1967,vol.3,#10,p.1699-1703][ZhurnalOrganicheskoiKhimii,1967,vol.3,#10,p.1741-1746]

[1]Lavrov,V.I.etal.[JournalofappliedchemistryoftheUSSR,1978,vol.51,p.1087-1090][ZhurnalPrikladnoiKhimii(Sankt-Peterburg,RussianFederation),1978,vol.51,p.1133-1136]

[1]Lushchik,V.B.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1967,vol.3,#10,p.1699-1703][ZhurnalOrganicheskoiKhimii,1967,vol.3,#10,p.1741-1746]

Literature
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Tags:13105-54-9 Molecular Formula|13105-54-9 MDL|13105-54-9 SMILES|13105-54-9 Carbamic acid,N-butyl-, 2-hydroxyethyl ester