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129138-59-6

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Basic Information
CAS No.: 129138-59-6
Name: 1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butyl-D9-amino-ethanone
Molecular Structure:
Molecular Structure of 129138-59-6 (1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butyl-D9-amino-ethanone)
Formula: C12H7D9Cl2N2O
Molecular Weight: 284.229
Synonyms: 4-Amino-a-d9-tert-butylamino-3,5-dichloroacetophenone;
Density: 1.28 g/cm3
Boiling Point: 415.853 °C at 760 mmHg
Flash Point: 205.301 °C
Appearance: Yellow solid
PSA: 55.12000
LogP: 4.11850
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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The CAS registry number of 1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butyl-D9-amino-ethanone is 129138-59-6. It belongs to the product categories of Chemical Amines; Amines; Aromatics; Isotope Labeled Compounds. This chemical's molecular formula is C12H7D9Cl2N2O. Its systematic name is called 1-(4-amino-3,5-dichlorophenyl)-2-({1,1-bis[(2H3)methyl](2H3)ethyl}amino)ethanone.

Physical properties of 1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butyl-D9-amino-ethanone: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 204; (6)ACD/KOC (pH 5.5): 84; (7)ACD/KOC (pH 7.4): 1466; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 72.399 cm3; (13)Molar Volume: 222.037 cm3; (14)Surface Tension: 44.111 dyne/cm; (15)Density: 1.28 g/cm3; (16)Flash Point: 205.301 °C; (17)Enthalpy of Vaporization: 66.9 kJ/mol; (18)Boiling Point: 415.853 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)C(=O)CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
(2)InChI: InChI=1/C12H16Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,16H,6,15H2,1-3H3/i1D3,2D3,3D3
(3)InChIKey: QWIQLKPBFDBNMD-GQALSZNTEJ