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CAS No.: | 502759-67-3 |
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Name: | 4,5-b]difuran-4-yl)-2-amino |
Molecular Structure: | |
Formula: | C13H12BrNO2 |
Molecular Weight: | 294.14 |
Synonyms: | Bromo-DragonFLY;1-(4-Bromofuro(2,3-f)(1)benzofuran-8-yl)propan-2-amine; |
PSA: | 52.30000 |
LogP: | 4.53150 |
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The (1-(8-Bromobenzo[1,2-b;4,5-b]difuran-4-yl)-2-aminopropane, with the CAS registry number 502759-67-3,is also known as Bromodragonfly. It belongs to the product categories of Organic matters. This chemical's molecular formula is C13H12BrNO2 and molecular weight is 293.005127 . What's more,Its systematic name is (1-(8-Bromobenzo[1,2-b;4,5-b]difuran-4-yl)-2-aminopropane. It is fatal poisoning reported with this potent hallucinogenic drug.
Physical properties about (1-(8-Bromobenzo[1,2-b;4,5-b]difuran-4-yl)-2-aminopropane are:
(1)ACD/LogP: 3.481; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 6.08; (7)ACD/KOC (pH 5.5): 2.02; (8)ACD/KOC (pH 7.4): 43.52; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.3 ?2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 71.903 cm3; (15)Molar Volume: 192.817 cm3; (16)Polarizability: 28.505 10-24cm3 ; (17)Surface Tension: 51.3639984130859 dyne/cm; (18)Density: 1.525 g/cm3; (19)Flash Point: 189.764 °C; (20)Enthalpy of Vaporization: 63.96 kJ/mol; (21)Boiling Point: 390.163 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Brc3c1ccoc1c(c2c3occ2)C[C@H](N)C;
(2)Std. InChI:InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/t7-/m1/s1;
(3)Std. InChIKey:GIKPTWKWYXCBEC-SSDOTTSWSA-N.