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| CAS No.: | 64584-34-5 |
|---|---|
| Name: | 1-(4-Iodo-2,5-dimethoxyphenyl)propan-2-amine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H16INO2 |
| Molecular Weight: | 321.158 |
| Synonyms: | 4-Iodo-2,5-diemthoxyamphetamine;4-Iodo-2,5-dimethoxyamphetamine;DOI;2,5-Dimethoxy-4-iodoamphetamine; |
| Density: | 1.509 g/cm3 |
| Boiling Point: | 361.545 °C at 760 mmHg |
| Flash Point: | 172.456 °C |
| PSA: | 44.48000 |
| LogP: | 2.89840 |
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Specification
The 4-Iodo-2,5-dimethoxyphenylisopropylamine, with the CAS registry number 64584-34-5, is also known as 2,5-Dimethoxy-4-iodophenylisopropylamine. This chemical's molecular formula is C11H16INO2 and molecular weight is 321.022572. Its IUPAC name is called 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine. This chemical's classification codes are Central Nervous System Agents; Hallucinogens; Neurotransmitter Agents; Psychotropic Drugs; Serotonin Agents; Serotonin agonists.
Physical properties of 4-Iodo-2,5-dimethoxyphenylisopropylamine: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.146; (4)ACD/LogD (pH 7.4): 1.161; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.462; (7)ACD/KOC (pH 5.5): 1.17; (8)ACD/KOC (pH 7.4): 12.102; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 70.193 cm3; (14)Molar Volume: 212.889 cm3; (15)Surface Tension: 41.097 dyne/cm; (16)Density: 1.509 g/cm3; (17)Flash Point: 172.456 °C; (18)Enthalpy of Vaporization: 60.739 kJ/mol; (19)Boiling Point: 361.545 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC1=CC(=C(C=C1OC)I)OC)N
(2)InChI: InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
(3)InChIKey: BGMZUEKZENQUJY-UHFFFAOYSA-N