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720656-64-4

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Basic Information
CAS No.: 720656-64-4
Name: 2-(2-N,N-DIPROPYLAMINOETHYL)-6-NITROPHENYL ACETIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 720656-64-4 (2-(2-N,N-DIPROPYLAMINOETHYL)-6-NITROPHENYL ACETIC ACID)
Formula: C16H24N2O4
Molecular Weight: 308.378
Synonyms: 2-(2-N,N-DIPROPYLAMINOETHYL)-6-NITROPHENYL ACETIC ACID
Density: 1.151 g/cm3
Boiling Point: 454.6 °C at 760 mmHg
Flash Point: 228.7 °C
PSA: 86.36000
LogP: 3.40960
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Specification

This chemical is called Benzeneacetic acid, 2-[2-(dipropylamino)ethyl]-6-nitro-, and its systematic name is {2-[2-(dipropylamino)ethyl]-6-nitrophenyl}acetic acid. With the molecular formula of C16H24N2O4, its molecular weight is 308.37. The CAS registry number of this chemical is 720656-64-4.

Other characteristics of the Benzeneacetic acid, 2-[2-(dipropylamino)ethyl]-6-nitro- can be summarised as followings: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.5; (8)ACD/KOC (pH 7.4): 4.53; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 84.97 cm3; (15)Molar Volume: 267.8 cm3; (16)Polarizability: 33.68×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.151 g/cm3; (19)Flash Point: 228.7 °C; (20)Enthalpy of Vaporization: 75.26 kJ/mol; (21)Boiling Point: 454.6 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)Cc1c(cccc1CCN(CCC)CCC)[N+]([O-])=O
2.InChI: InChI=1/C16H24N2O4/c1-3-9-17(10-4-2)11-8-13-6-5-7-15(18(21)22)14(13)12-16(19)20/h5-7H,3-4,8-12H2,1-2H3,(H,19,20)
3.InChIKey: PBMNGLVZPSNABM-UHFFFAOYAS