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CAS No.: | 610-74-2 |
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Name: | 2,5-diaminobenzoic acid |
Molecular Structure: | |
Formula: | C7H8N2O2 |
Molecular Weight: | 152.153 |
Synonyms: | 2,5-Diaminobenzoicacid;5-Aminoanthranilic acid; |
Density: | 1.428 g/cm3 |
Melting Point: | 225 °C(dec.) |
Boiling Point: | 398.1 °C at 760 mmHg |
Flash Point: | 194.6 °C |
PSA: | 89.34000 |
LogP: | 1.71160 |
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The Benzoic acid,2,5-diamino-, with the CAS registry number 610-74-2, is also known as 2,5-Diamino-benzoic acid. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.1506. Its systematic name is called 2,5-diaminobenzoic acid.
Physical properties of Benzoic acid,2,5-diamino-: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -2.75; (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: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.71; (13)Molar Refractivity: 41.65 cm3; (14)Molar Volume: 106.5 cm3; (15)Surface Tension: 82.5 dyne/cm; (16)Density: 1.428 g/cm3; (17)Flash Point: 194.6 °C; (18)Enthalpy of Vaporization: 68.4 kJ/mol; (19)Boiling Point: 398.1 °C at 760 mmHg; (20)Vapour Pressure: 4.72E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1N)N
(2)InChI: InChI=1/C7H8N2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,8-9H2,(H,10,11)
(3)InChIKey: UONVFNLDGRWLKF-UHFFFAOYAU