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| CAS No.: | 1668-84-4 |
|---|---|
| Name: | 1,3-Benzodioxol-4-amine |
| Molecular Structure: | |
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| Formula: | C7H7NO2 |
| Molecular Weight: | 137.138 |
| Synonyms: | Aniline,2,3-(methylenedioxy)- (6CI,7CI,8CI);2,3-Methylenedioxyaniline;4-Amino-1,3-benzodioxole; |
| Density: | 1.332 g/cm3 |
| Melting Point: | 32-33 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 256.2 °C at 760 mmHg |
| Flash Point: | 117.4 °C |
| PSA: | 44.48000 |
| LogP: | 1.57870 |
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Specification
The 1,3-Benzodioxol-4-amine is an organic compound with the formula C7H7NO2. The systematic name of this chemical is 1,3-Benzodioxol-4-amine. With the CAS registry number 1668-84-4, it is also named as 2H-Benzo[d]1,3-dioxolane-4-ylamine. Besides, its molecular weight is 137.13598.
Physical properties about 1,3-Benzodioxol-4-amine are: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): 0.84; (3)ACD/LogD (pH 7.4): 0.86; (4)ACD/BCF (pH 5.5): 2.56; (5)ACD/BCF (pH 7.4): 2.66; (6)ACD/KOC (pH 5.5): 67.36; (7)ACD/KOC (pH 7.4): 70.1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 36.65 cm3; (14)Molar Volume: 102.8 cm3; (15)Polarizability: 14.52×10-24 cm3; (16)Surface Tension: 61.7 dyne/cm; (17)Density: 1.332 g/cm3; (18)Flash Point: 117.4 °C; (19)Enthalpy of Vaporization: 49.37 kJ/mol; (20)Boiling Point: 256.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H7NO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4,8H2
(2)InChIKey: KQMXPHISFRKBJP-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C7H7NO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4,8H2
(4)Std. InChIKey: KQMXPHISFRKBJP-UHFFFAOYSA-N