1,4-Benzodioxin-5-methanamine,2,3-dihydro- supplier

Name
2,3-DIHYDRO-1,4-BENZODIOXIN-5-YLMETHYLAMINE HYDROCHLORIDE
EINECS
CAS No. 261633-71-0
Article Data2
CAS DataBase
Density 1.194 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 287.5 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 138.8 °C
Transport Information
Appearance
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;
PSA 44.48000
LogP 2.41880

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

Product Name

2,3-DIHYDRO-1,4-BENZODIOXIN-5-YLMETHYLAMINE HYDROCHLORIDE

1,4-Benzodioxin-5-methanamine,2,3-dihydro- Specification

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