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

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Name

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

EINECS N/A
CAS No. 5162-90-3 Density 1.343 g/cm3
PSA 96.18000 LogP 1.18280
Solubility N/A Melting Point 265~266 °C
Formula C12H12 N2 O3 Boiling Point 420.7 °C at 760 mmHg
Molecular Weight 232.239 Flash Point 208.2 °C
Transport Information N/A Appearance white or almost white crystalline powder
Safety 26 Risk Codes 22
Molecular Structure Molecular Structure of 5162-90-3 (2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid) Hazard Symbols Xn
Synonyms

4-Quinolinealanine,1,2-dihydro-2-oxo- (7CI,8CI);a-Amino-b-[4-(1,2-dihydro-2-oxoquinoline)]propionicacid;

Article Data 4

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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