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84499-75-2

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Basic Information
CAS No.: 84499-75-2
Name: Benzenemethanamine, 3,5-dichloro-α-methyl-, (αS)-
Article Data: 2
Molecular Structure:
Molecular Structure of 84499-75-2 (Benzenemethanamine, 3,5-dichloro-α-methyl-, (αS)-)
Formula: C8H9Cl2N
Molecular Weight: 190.072
Synonyms: [(1S)-1-(3,5-Dichlorophenyl)ethyl]amine;Benzenemethanamine,3,5-dichloro-a-methyl-,(S)-;
Density: 1.262 g/cm3
Boiling Point: 245.063 °C at 760 mmHg
Flash Point: 102.011 °C
PSA: 26.02000
LogP: 3.71340
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Specification

The CAS register number of Benzenemethanamine,3,5-dichloro-a-methyl-,(aS)- is 84499-75-2. The systematic name about this chemical is (1S)-1-(3,5-dichlorophenyl)ethanamine. The molecular formula about this chemical is C8H9Cl2N and the molecular weight is 190.072.

Physical properties about Benzenemethanamine,3,5-dichloro-a-methyl-,(aS)- are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 0.276; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 9.461; (6)ACD/KOC (pH 5.5): 1.976; (7)ACD/KOC (pH 7.4): 87.076; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 49.13 cm3; (14)Molar Volume: 150.578 cm3; (15)Polarizability: 19.477x10-24cm3; (16)Surface Tension: 41.989 dyne/cm; (17)Density: 1.262 g/cm3; (18)Flash Point: 102.011 °C; (19)Enthalpy of Vaporization: 48.214 kJ/mol; (20)Boiling Point: 245.063 °C at 760 mmHg; (21)Vapour Pressure: 0.029 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](c1cc(cc(c1)Cl)Cl)N
(2)InChI: InChI=1/C8H9Cl2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m0/s1
(3)InChIKey: DYNJVRIGZRAWQN-YFKPBYRVBX
(4)Std. InChI: InChI=1S/C8H9Cl2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m0/s1
(5)Std. InChIKey: DYNJVRIGZRAWQN-YFKPBYRVSA-N