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| CAS No.: | 178557-21-6 |
|---|---|
| Name: | 1-(8-Bromo-2,3,6,7-tetrahydrobenzodifuran-4-yl)-2-aminoethane hydrochloride |
| Molecular Structure: | |
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| Formula: | C12H14 Br N O2 . Cl H |
| Molecular Weight: | 284.1491 |
| Synonyms: | 1-(8-Bromo-2,3,6,7-tetrahydrobenzodifuran-4-yl)-2-aminoethane hydrochloride;1-(8-bromo-2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b]difuran-4-yl)-2-aminoethane;2-(8-Bromo-2,3,6,7-tetrahydrobenzofuro[5,6-b]furan-4-yl)ethanamine hydrochloride;DesMethyl-8-broMo Dragonfly Hydrochloride;2C-B-FLY;8-BroMo-2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b]difuran-4-ethanaMine Hydrochloride;Benzo[1,2-b:4,5-b]difuran-4-ethanaMine,8-broMo-2,3,6,7-tetrahydro-, hydrochloride (9CI);2C-B-FLY hydrochloride solution |
| Density: | 1.558 g/cm3 |
| Boiling Point: | 418.419 °C at 760 mmHg |
| Flash Point: | 206.852 °C |
| Hazard Symbols: | F,Xn |
| Risk Codes: | 11-20/21/22-36 |
| Safety: | 16-26-36/37 |
| PSA: | 44.48000 |
| LogP: | 3.32240 |
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Specification
The Benzo[1,2-b:4,5-b']difuran-4-ethanamine,8-bromo-2,3,6,7-tetrahydro-,hydrochloride(9CI), with the CAS registry number 178557-21-6,is also known as 2-(8-Bromo-2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)ethanamine. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C12H14BrNO2 and molecular weight is 284.149. What's more,Its systematic name is Benzo[1,2-b:4,5-b']difuran-4-ethanamine,8-bromo-2,3,6,7-tetrahydro-,hydrochloride(9CI).It is A metabolite of Bromo Dragonfly .
Physical properties about Benzo[1,2-b:4,5-b']difuran-4-ethanamine,8-bromo-2,3,6,7-tetrahydro-,hydrochloride(9CI) are:
(1)ACD/LogP:2.145; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):-0.90; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5):1.00; (6)ACD/BCF (pH 7.4):1.00; (7)ACD/KOC (pH 5.5):1.00; (8)ACD/KOC (pH 7.4):3.35; (9)#H bond acceptors:3; (10)#H bond donors:2; (11)#Freely Rotating Bonds:3; (12)Index of Refraction:1.636; (13)Molar Refractivity:65.363 cm3; (14)Molar Volume:182.382 cm3; (15)Polarizability:25.912 10-24cm3; (16)Surface Tension:58.7709999084473 dyne/cm; (17)Density:1.558 g/cm3; (18)Flash Point:206.852 °C; (19)Enthalpy of Vaporization:67.196 kJ/mol; (20)Boiling Point:418.419 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Brc3c1c(OCC1)c(c2c3OCC2)CCN;
(2)Std. InChI:InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2;
(3)Std. InChIKey:YZDFADGMVOSVIX-UHFFFAOYSA-N.