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Name |
1,3-Benzodioxol-4-amine,6-methoxy- |
EINECS | N/A |
CAS No. | 401811-81-2 | Density | 1.317 g/cm3 |
PSA | 53.71000 | LogP | 1.58730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H9NO3 | Boiling Point | 293.814 °C at 760 mmHg |
Molecular Weight | 167.163 | Flash Point | 152.407 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Methoxy-2,3-methylenedioxyaniline;6-Methoxy-1,3-benzodioxol-4-amine;6-methoxy-2H-benzo[d]1,3-dioxolane-4-ylamine; |
The CAS register number of 1,3-Benzodioxol-4-amine,6-methoxy- is 401811-81-2. It also can be called as 6-methoxy-2H-benzo[d]1,3-dioxolane-4-ylamine and the systematic name about this chemical is 6-methoxy-1,3-benzodioxol-4-amine. The molecular formula about this chemical is C8H9NO3 and the molecular weight is 167.163. It belongs to the Methoxy.
Physical properties about 1,3-Benzodioxol-4-amine,6-methoxy- are: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 61; (7)ACD/KOC (pH 7.4): 62; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.71Å2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 43.329 cm3; (14)Molar Volume: 126.894 cm3; (15)Polarizability: 17.177x10-24cm3; (16)Surface Tension: 54.729 dyne/cm; (17)Flash Point: 152.407 °C; (18)Enthalpy of Vaporization: 53.341 kJ/mol; (19)Boiling Point: 293.814 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2OCOc2c(N)c1
(2)InChI: InChI=1/C8H9NO3/c1-10-5-2-6(9)8-7(3-5)11-4-12-8/h2-3H,4,9H2,1H3
(3)InChIKey: GZZUZOJGSXXWIS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H9NO3/c1-10-5-2-6(9)8-7(3-5)11-4-12-8/h2-3H,4,9H2,1H3
(5)Std. InChIKey: GZZUZOJGSXXWIS-UHFFFAOYSA-N