Home Carboxes 114527-53-6
114527-53-6,MFCD06739005
Catalog No.:AA000EJY

114527-53-6 | 1,2,3,4-Tetrahydroquinoline-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$42.00   $29.00
- +
1g
97%
in stock  
$153.00   $107.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000EJY
Chemical Name:
1,2,3,4-Tetrahydroquinoline-3-carboxylic acid
CAS Number:
114527-53-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD06739005
SMILES:
OC(=O)C1CNc2c(C1)cccc2
Properties
Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Gracheva,I.N.;Tochilkin,A.I.[ChemistryofHeterocyclicCompounds,1988,vol.24,p.65-67][KhimiyaGeterotsiklicheskikhSoedinenii,1988,vol.24,#1,p.77-79]

[2]Chen;Wilder;Drennen;Tran;Roth;Chesko;Shapiro;Fletcher[OrganicandBiomolecularChemistry,2016,vol.14,#24,p.5505-5510]

[3]CurrentPatentAssignee:UNIVERSITYSYSTEMOFMARYLAND-WO2017/11323,2017,A1

[4]CurrentPatentAssignee:VAL-CHUMLIMITEDPARTNERSHIP;UNIVERSITYOFPENNSYLVANIA-WO2020/28482,2020,A1

[5]Abrams,CameronF.;Chapleau,Jean-Philippe;Ding,Shilei;Grenier,MelissaC.;Pazgier,Marzena;Sherburn,Rebekah;Smith,AmosB.;Somisetti,Sambasivarao;Tolbert,WilliamD.;Finzi,Andrés;Schön,Arne;Vézina,Dani[ACSMedicinalChemistryLetters,2020,vol.11,#3,p.371-378]

[1]Gracheva,I.N.;Tochilkin,A.I.[ChemistryofHeterocyclicCompounds,1988,vol.24,p.65-67][KhimiyaGeterotsiklicheskikhSoedinenii,1988,vol.24,#1,p.77-79]

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:114527-53-6 Molecular Formula|114527-53-6 MDL|114527-53-6 SMILES|114527-53-6 1,2,3,4-Tetrahydroquinoline-3-carboxylic acid