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CAS No.: | 23693-38-1 |
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Name: | 7-METHOXY-1,3-BENZODIOXOLE-5-ETHANAMINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H13NO3 |
Molecular Weight: | 195.218 |
Synonyms: | 2-(7-methoxybenzo[1,3]dioxol-5-yl)ethanamine; |
EINECS: | 245-825-9 |
Density: | 1.211 g/cm3 |
Boiling Point: | 310 °C at 760 mmHg |
Flash Point: | 153.7 °C |
PSA: | 53.71000 |
LogP: | 1.62540 |
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The 7-Methoxybenzo-1,3-dioxole-5-ethylamine is an organic compound with the formula C10H13NO3. The IUPAC name of this chemical is 2-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine. With the CAS registry number 23693-38-1, it is also named as 1,3-benzodioxole-5-ethanamine, 7-methoxy-.
Physical properties about 7-Methoxybenzo-1,3-dioxole-5-ethylamine are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): -1.57; (3)ACD/LogD (pH 7.4): -0.68; (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): 1.04; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 30.93 Å2; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 52.17 cm3; (14)Molar Volume: 161.1 cm3; (15)Polarizability: 20.68×10-24cm3; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.211 g/cm3; (18)Flash Point: 153.7 °C; (19)Enthalpy of Vaporization: 55.08 kJ/mol; (20)Boiling Point: 310 °C at 760 mmHg; (21)Vapour Pressure: 0.000618 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2cc(cc(OC)c2OC1)CCN
(2)InChI: InChI=1/C10H13NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2-3,6,11H2,1H3
(3)InChIKey: ORXQUAPZHKCCAX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H13NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2-3,6,11H2,1H3
(5)Std. InChIKey: ORXQUAPZHKCCAX-UHFFFAOYSA-N