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| CAS No.: | 103-92-4 |
|---|---|
| Name: | P-AMINOOXANILIC ACID |
| Molecular Structure: | |
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|
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| Formula: | C8H8N2O3 |
| Molecular Weight: | 180.163 |
| Synonyms: | Aceticacid, [(4-aminophenyl)amino]oxo- (9CI);Oxanilic acid, 4'-amino- (7CI,8CI);4'-Aminooxanilic acid;N-(4-Aminophenyl)oxamic acid;N-(p-Aminophenyl)oxamicacid;N-Oxalyl-4-aminoaniline;N-Oxalyl-p-phenylenediamine;NSC 36978; |
| EINECS: | 203-158-0 |
| Density: | 1.508 g/cm3 |
| Melting Point: | >250 °C |
| Appearance: | Light purple solid |
| Hazard Symbols: |
 T, N, Xi
|
| Risk Codes: | R23/24/25; R48/22; R51/53 |
| PSA: | 92.42000 |
| LogP: | 0.94610 |
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- Total:30 Page 1 of 1 1
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Specification
The Acetic acid,2-[(4-aminophenyl)amino]-2-oxo- is an organic compound with the formula C8H8N2O3. The IUPAC name of this chemical is 2-(4-aminoanilino)-2-oxoacetic acid. With the CAS registry number 103-92-4 and EINECS 203-158-0, it is also named as N-(p-Aminophenyl)oxamic acid. The product's categories are Aromatics Compounds; Aromatics. It is light purple solid.
The other characteristics of Acetic acid,2-[(4-aminophenyl)amino]-2-oxo- can be summarized as: (1)ACD/LogP: -1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.2; (4)ACD/LogD (pH 7.4): -4.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 46.32 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 18.36×10-24 cm3; (17)Surface Tension: 81.3 dyne/cm; (18)Rotatable Bond Count: 2; (19)Tautomer Count: 2; (20)Exact Mass: 180.053492; (21)MonoIsotopic Mass: 180.053492; (22)Topological Polar Surface Area: 92.4; (23)Heavy Atom Count: 13; (24)Complexity: 209.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(Nc1ccc(cc1)N)C(=O)O
2. InChI:InChI=1/C8H8N2O3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)
3. InChIKey:HVAINFDIRWAPQM-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C8H8N2O3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)
5. Std. InChIKey:HVAINFDIRWAPQM-UHFFFAOYSA-N