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2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid

  • Name 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid
  • EINECSN/A
  • CAS No. 5162-90-3
  • Density1.343 g/cm3
  • PSA96.18000
  • LogP1.18280
  • SolubilityN/A
  • Melting Point265~266 °C
  • FormulaC12H12 N2 O3
  • Boiling Point420.7 °C at 760 mmHg
  • Molecular Weight232.239
  • Flash Point208.2 °C
  • Transport InformationN/A
  • Appearancewhite or almost white crystalline powder
  • Safety26
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 5162-90-3 (2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data4

2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid Specification

2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid , with the CAS register number 5162-90-3, could be called as 2-amino-3[2(1h)-quinolinon-4-yl]propionic acid hydrochloride ; 2-amino-3-[2(1h)-quinolinon-4-yl]-propinonic acid hcl ; 2-amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid hydrochloride ; 2-amino-3-(1,2-dihydro-2-oxo-4-quinolineyl)propionic acid hcl ; 1,2-dihydro-2-oxo-4-quinolinealanine .

Characteristcis of this kind of chemical could be summarized as: (1)ACD/BCF (pH 5.5):  1  ; (2)ACD/BCF (pH 7.4):  1  ; (3)ACD/KOC (pH 5.5):  1  ; (4)ACD/KOC (pH 7.4):  1  ; (5)#H bond acceptors:  5  ; (6)#H bond donors:  4  ; (7)#Freely Rotating Bonds:  ; (8)4  Polar Surface Area:  92.42 ; (9)Index of Refraction:  1.618  ; (10)Molar Refractivity:  60.523 cm3  ; (11)Molar Volume:  172.838 cm ; (12)Polarizability:  23.993 ×10-24cm3  ; (13)Surface Tension:  59.451 dyne/cm ; (14) Density:  1.344 g/cm3  ; (15)Flash Point:  269.929 °C  ; (16)Enthalpy of Vaporization:  83.82 kJ/mol  ; (17)Boiling Point:  522.716 °C at 760 mmHg .

It is white or almost white crystalline powder and this kind of chemical belongs to the product categories of organic acids, API intermediates. For example, it could be usually used as the intermediate for the rebamipide .

In addition, you could convert the following data information into molecular structure:
SMILES:O=C(O)C(N)CC=2c1c(cccc1)NC(=O)C=2
InChI:InChI=1/C12H12N2O3/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17)
InChIKey:NOILRCJONSGSRP-UHFFFAOYAI

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