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| CAS No.: | 66315-15-9 |
|---|---|
| Name: | 3-AMINO-4-METHYLAMINO-BENZOIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C8H10N2O2 |
| Molecular Weight: | 166.18 |
| Synonyms: | 3-Amino-4-methylamino-benzoic acid; |
| Density: | 1.343 g/cm3 |
| Boiling Point: | 386.008 °C at 760 mmHg |
| Flash Point: | 187.251 °C |
| PSA: | 75.35000 |
| LogP: | 1.66290 |
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- Total:27 Page 1 of 1 1
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Specification
The Benzoicacid, 3-amino-4-(methylamino)-, with the CAS registry number 66315-15-9, is also known as 3-Amino-4-methylamino-benzoic acid. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.1772. Its systematic name is called 3-amino-4-(methylamino)benzoic acid.
Physical properties of Benzoicacid, 3-amino-4-(methylamino)-: (1)ACD/LogP: 0.72; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.685; (10)Molar Refractivity: 47.028 cm3; (11)Molar Volume: 123.699 cm3; (12)Surface Tension: 67.167 dyne/cm; (13)Density: 1.343 g/cm3; (14)Flash Point: 187.251 °C; (15)Enthalpy of Vaporization: 66.966 kJ/mol; (16)Boiling Point: 386.008 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(NC)c(N)c1
(2)InChI: InChI=1/C8H10N2O2/c1-10-7-3-2-5(8(11)12)4-6(7)9/h2-4,10H,9H2,1H3,(H,11,12)
(3)InChIKey: QZZIBMYRWBVKLM-UHFFFAOYAI