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CAS No.: | 108731-71-1 |
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Name: | N,N-dimethyl-4-iodophentermine |
Molecular Structure: | |
Formula: | C12H18IN |
Molecular Weight: | 303.18612 |
Synonyms: | N,N-dimethyl-4-iodophentermine;1-(4-iodophenyl)-N,N,2-trimethyl-propan-2-amine; |
Density: | 1.392 g/cm3 |
Boiling Point: | 295.2 °C at 760 mmHg |
Flash Point: | 132.3 °C |
PSA: | 3.24000 |
LogP: | 3.17390 |
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The CAS register number of Benzeneethanamine,4-iodo-N,N,a,a-tetramethyl- is 108731-71-1. It also can be called as N,N-dimethyl-4-iodophentermine and the IUPAC name about this chemical is 1-(4-iodophenyl)-N,N,2-trimethylpropan-2-amine. The molecular formula about this chemical is C12H18IN and the molecular weight is 303.18612.
Physical properties about Benzeneethanamine,4-iodo-N,N,a,a-tetramethyl- are: (1)ACD/LogP: 3.87; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.83; (6)ACD/KOC (pH 5.5): 2.73; (7)ACD/KOC (pH 7.4): 28.6; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 70.92 cm3; (13)Molar Volume: 217.6 cm3; (14)Polarizability: 28.11x10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Density: 1.392 g/cm3; (17)Flash Point: 132.3 °C; (18)Enthalpy of Vaporization: 53.49 kJ/mol; (19)Boiling Point: 295.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00155 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)CC(N(C)C)(C)C
(2)InChI: InChI=1/C12H18IN/c1-12(2,14(3)4)9-10-5-7-11(13)8-6-10/h5-8H,9H2,1-4H3
(3)InChIKey: PZIVQNCOTRXRLT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H18IN/c1-12(2,14(3)4)9-10-5-7-11(13)8-6-10/h5-8H,9H2,1-4H3
(5)Std. InChIKey: PZIVQNCOTRXRLT-UHFFFAOYSA-N