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Benzeneethanamine,4-iodo-N,N,a,a-tetramethyl-

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Name

Benzeneethanamine,4-iodo-N,N,a,a-tetramethyl-

EINECS N/A
CAS No. 108731-71-1 Density 1.392 g/cm3
PSA 3.24000 LogP 3.17390
Solubility N/A Melting Point N/A
Formula C12H18IN Boiling Point 295.2 °C at 760 mmHg
Molecular Weight 303.18612 Flash Point 132.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 108731-71-1 (N,N-dimethyl-4-iodophentermine) Hazard Symbols N/A
Synonyms

N,N-dimethyl-4-iodophentermine;1-(4-iodophenyl)-N,N,2-trimethyl-propan-2-amine;

 

Benzeneethanamine,4-iodo-N,N,a,a-tetramethyl- Specification

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

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