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313644-24-5

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Basic Information
CAS No.: 313644-24-5
Name: 4-BUTOXY-3-NITROANILINE, 97
Molecular Structure:
Molecular Structure of 313644-24-5 (4-BUTOXY-3-NITROANILINE, 97)
Formula: C10H14N2O3
Molecular Weight: 210.2298
Synonyms: Aniline,4-butoxy-3-nitro- (5CI);4-butoxy-3-nitroaniline;4-butoxy-3-nitrophenylamine;
Density: 1.187 g/cm3
Melting Point: 60-64 °C
Boiling Point: 380.9 °C at 760 mmHg
Flash Point: 184.1 °C
Appearance: dark red to black-brown crystals or granules
PSA: 81.07000
LogP: 3.46030
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Specification

The CAS register number of Benzenamine,4-butoxy-3-nitro- is 313644-24-5. It also can be called as 4-butoxy-3-nitrophenylamine and the IUPAC name about this chemical is 4-butoxy-3-nitroaniline. The molecular formula about this chemical is C10H14N2O3 and the molecular weight is 210.23.

Physical properties about Benzenamine,4-butoxy-3-nitro- are: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.18; (5)ACD/BCF (pH 7.4): 59.59; (6)ACD/KOC (pH 5.5): 644.55; (7)ACD/KOC (pH 7.4): 649.04; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 58.29Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 57.61 cm3; (14)Molar Volume: 177 cm3; (15)Polarizability: 22.83x10-24cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Enthalpy of Vaporization: 62.91 kJ/mol; (18)Boiling Point: 380.9 °C at 760 mmHg; (19)Vapour Pressure: 5.29E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(ccc1OCCCC)N
(2)InChI: InChI=1/C10H14N2O3/c1-2-3-6-15-10-5-4-8(11)7-9(10)12(13)14/h4-5,7H,2-3,6,11H2,1H3
(3)InChIKey: XOQGCSUIKIRRRV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H14N2O3/c1-2-3-6-15-10-5-4-8(11)7-9(10)12(13)14/h4-5,7H,2-3,6,11H2,1H3
(5)Std. InChIKey: XOQGCSUIKIRRRV-UHFFFAOYSA-N