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| CAS No.: | 5162-90-3 |
|---|---|
| Name: | 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H12 N2 O3 |
| Molecular Weight: | 232.239 |
| Synonyms: | 4-Quinolinealanine,1,2-dihydro-2-oxo- (7CI,8CI);a-Amino-b-[4-(1,2-dihydro-2-oxoquinoline)]propionicacid; |
| Density: | 1.343 g/cm3 |
| Melting Point: | 265~266 °C |
| Boiling Point: | 420.7 °C at 760 mmHg |
| Flash Point: | 208.2 °C |
| Appearance: | white or almost white crystalline powder |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 26 |
| PSA: | 96.18000 |
| LogP: | 1.18280 |
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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 cm3 ; (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