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| CAS No.: | 64638-07-9 |
|---|---|
| Name: | Brolamfetamine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C11H16BrNO2 |
| Molecular Weight: | 274.158 |
| Synonyms: | 2,5-Dimethoxy-4-bromoamphetamine;4-Bromo-2,5-dimethoxyphenylisopropylamine;Brolamfetamine;DOB;dl-2,5-Dimethoxy-4-bromoamphetamine; |
| Density: | 1.324 g/cm3 |
| Melting Point: | 67-70°C |
| Boiling Point: | 340.8 °C at 760 mmHg |
| Flash Point: | 159.9 °C |
| PSA: | 44.48000 |
| LogP: | 3.05630 |
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Specification
The CAS register number of Benzeneethanamine,4-bromo-2,5-dimethoxy-a-methyl- is 64638-07-9. It also can be called as 2,5-Dimethoxy-4-bromoamphetamine and the IUPAC name about this chemical is 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine. The molecular formula about this chemical is C11H16BrNO2 and the molecular weight is 274.15754.
Physical properties about Benzeneethanamine,4-bromo-2,5-dimethoxy-a-methyl- are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): 0.4; (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): 4.88; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 64.97 cm3; (14)Molar Volume: 207 cm3; (15)Polarizability: 25.75x10-24cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.324 g/cm3; (18)Flash Point: 159.9 °C; (19)Enthalpy of Vaporization: 58.44 kJ/mol; (20)Boiling Point: 340.8 °C at 760 mmHg; (21)Vapour Pressure: 8.37E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC)c(cc1OC)CC(N)C
(2)InChI: InChI=1/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
(3)InChIKey: FXMWUTGUCAKGQL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
(5)Std. InChIKey: FXMWUTGUCAKGQL-UHFFFAOYSA-N