Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3,5-Diaminosalicylic acid |
EINECS | N/A |
CAS No. | 112725-89-0 | Density | 1.602 g/cm3 |
PSA | 109.57000 | LogP | 1.41720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H8N2O3 | Boiling Point | 455.8 °C at 760 mmHg |
Molecular Weight | 168.152 | Flash Point | 229.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,5-Diaminosalicylic acid; |
Article Data | 6 |
The 3,5-Diaminosalicylic acid eith the cas number 112725-89-0 is also called Benzoic acid,3,5-diamino-2-hydroxy-. The systematic name is 3,5-diamino-2-hydroxybenzoic acid. Its molecular formula is C7H8N2O3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 109.57 Å2; (10)Index of Refraction: 1.768; (11)Molar Refractivity: 43.53 cm3; (12)Molar Volume: 104.9 cm3; (13)Polarizability: 17.25×10-24cm3; (14)Surface Tension: 105.1 dyne/cm ; (15)Enthalpy of Vaporization: 75.41 kJ/mol; (16)Vapour Pressure: 4.24×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(C(O)=O)c(O)c(N)c1
(2)InChI: InChI=1/C7H8N2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,8-9H2,(H,11,12)
(3)InChIKey: HQURVGSRQBOZEX-UHFFFAOYAE