1,3-Benzodioxole-5-methanamine,α-methyl- supplier

Name
1-BENZO[1,3]DIOXOL-5-YL-ETHYLAMINE
EINECS
CAS No. 121734-64-3
Article Data12
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 260.9 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 120.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(Benzo[d][1,3]dioxol-5-yl)ethanamine;1-(1,3-Benzodioxol-5-yl)ethanamine;
PSA 44.48000
LogP 2.13530

1,3-Benzodioxole-5-methanamine,α-methyl- Specification

The 1, 3-Benzodioxole-5-methanamine, α-methyl-, with the CAS registry number of 121734-64-3, is also known as 1-Benzo[1, 3]dioxol-5-yl-ethylamine. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, its IUPAC name is 1-(1, 3-Benzodioxol-5-yl)ethanamine. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1, 3-Benzodioxole-5-methanamine, α-methyl- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.14; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 45.5 cm³; (15)Molar Volume: 137.8 cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.198 g/cm³; (18)Flash Point: 120.6 °C; (19)Enthalpy of Vaporization: 49.86 kJ/mol; (20)Boiling Point: 260.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0119 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1c2ccc(cc2OC1)C(N)C
(2) InChI: InChI=1/C9H11NO2/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4,6H,5,10H2,1H3
(3) InChIKey: ZWBXYAKHFVPCBF-UHFFFAOYAO

Product Name

1-BENZO[1,3]DIOXOL-5-YL-ETHYLAMINE

1,3-Benzodioxole-5-methanamine,α-methyl- Specification

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