ChemSpider 2D Image | N-[1-(Adamantan-1-yl)ethyl]-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroaniline | C32H38N4O4S

N-[1-(Adamantan-1-yl)ethyl]-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroaniline

  • Molecular FormulaC32H38N4O4S
  • Average mass574.734 Da
  • Monoisotopic mass574.261353 Da
  • ChemSpider ID2530066

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-[1-(Adamantan-1-yl)ethyl]-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroanilin [German] [ACD/IUPAC Name]
N-[1-(Adamantan-1-yl)ethyl]-5-[4-(2-naphthylsulfonyl)-1-piperazinyl]-2-nitroaniline [ACD/IUPAC Name]
N-[1-(Adamantan-1-yl)ethyl]-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitroaniline
N-[1-(Adamantan-1-yl)éthyl]-5-[4-(2-naphtylsulfonyl)-1-pipérazinyl]-2-nitroaniline [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanamine, α-methyl-N-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]- [ACD/Index Name]
(1-Adamantan-1-yl-ethyl)-{5-[4-(naphthalene-2-sulfonyl)-piperazin-1-yl]-2-nitro-phenyl}-amine
1-{3-{[1-(1-adamantyl)ethyl]amino}-4-nitrophenyl}-4-(2-naphthylsulfonyl)piperazine
347356-25-6 [RN]
4-{3-[(adamantanylethyl)amino]-4-nitrophenyl}-1-(2-naphthylsulfonyl)piperazine
5-[4-(naphthalen-2-ylsulfonyl)piperazin-1-yl]-2-nitro-N-[1-(tricyclo[3.3.1.13,7]dec-1-yl)ethyl]aniline
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A2547/0108417 [DBID]
AG-670/15543044 [DBID]
EU-0041943 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 778.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.3±3.0 kJ/mol
    Flash Point: 424.7±35.7 °C
    Index of Refraction: 1.672
    Molar Refractivity: 161.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 9.00
    ACD/LogD (pH 5.5): 7.49
    ACD/BCF (pH 5.5): 290838.97
    ACD/KOC (pH 5.5): 283434.78
    ACD/LogD (pH 7.4): 7.49
    ACD/BCF (pH 7.4): 290846.97
    ACD/KOC (pH 7.4): 283442.56
    Polar Surface Area: 107 Å2
    Polarizability: 63.9±0.5 10-24cm3
    Surface Tension: 62.5±3.0 dyne/cm
    Molar Volume: 430.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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