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Cas Database |
| Name |
1,4-Benzodioxin-5-methanamine,2,3-dihydro- |
EINECS | N/A |
| CAS No. | 261633-71-0 | Density | 1.194 g/cm3 |
| PSA | 44.48000 | LogP | 2.41880 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H11NO2 | Boiling Point | 287.5 °C at 760 mmHg |
| Molecular Weight | 165.192 | Flash Point | 138.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes |
 C:Corrosive; |
| Molecular Structure |
|
Hazard Symbols | R34:Causes burns.; |
| Synonyms |
5-(Aminomethyl)-2,3-dihydro-1,4-benzodioxine;[(2,3-Dihydrobenzo[1,4]dioxin-5-yl)methyl]amine;(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)methanamine;1-(2,3-Dihydro-1,4-benzodioxin-5-yl)methanamine; |
Article Data | 2 |
1,4-Benzodioxin-5-methanamine,2,3-dihydro- Specification
The 1,4-Benzodioxin-5-methanamine,2,3-dihydro- is an organic compound with the formula C9H11NO2. The systematic name of this chemical is 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)methanamine. With the CAS registry number 261633-71-0, it is also named as 2,3-Dihydro-1,4-benzodioxin-5-ylmethanamine. Besides, its molecular weight is 165.19.
The physical properties of 1,4-Benzodioxin-5-methanamine,2,3-dihydro- are: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): -2.24; (3)ACD/LogD (pH 7.4): -0.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 45.47 cm3; (14)Molar Volume: 138.3 cm3; (15)Polarizability: 18.02×10-24 cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.194 g/cm3; (18)Flash Point: 138.8 °C; (19)Enthalpy of Vaporization: 52.67 kJ/mol; (20)Boiling Point: 287.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00247 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OCC1)cccc2CN
(2)InChI: InChI=1/C9H11NO2/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3H,4-6,10H2
(3)InChIKey: OKRXRKUGZVMPKX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H11NO2/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3H,4-6,10H2
(5)Std. InChIKey: OKRXRKUGZVMPKX-UHFFFAOYSA-N
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