ChemSpider 2D Image | (S)-(+)-DBD-APY | C12H17N5O3S

(S)-(+)-DBD-APY

  • Molecular FormulaC12H17N5O3S
  • Average mass311.360 Da
  • Monoisotopic mass311.105194 Da
  • ChemSpider ID24589570

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(+)-DBD-APY
143112-49-6 [RN]
143112-50-9 [RN]
2,1,3-Benzoxadiazole-4-sulfonamide, 7-[(3S)-3-amino-1-pyrrolidinyl]-N,N-dimethyl- [ACD/Index Name]
7-[(3S)-3-Amino-1-pyrrolidinyl]-N,N-dimethyl-2,1,3-benzoxadiazol-4-sulfonamid [German] [ACD/IUPAC Name]
7-[(3S)-3-Amino-1-pyrrolidinyl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide [ACD/IUPAC Name]
7-[(3S)-3-Amino-1-pyrrolidinyl]-N,N-diméthyl-2,1,3-benzoxadiazole-4-sulfonamide [French] [ACD/IUPAC Name]
7-[(3S)-3-Aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
(R)-(-)-DBD-APy
(S)-(+)-4-(N,N-DIMETHYLAMINOSULFONYL)-7-(3-AMINOPYRROLIDIN-1-YL)-2,1,3-BENZOXADIAZOLE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 503.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 258.4±32.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 78.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.48
    ACD/LogD (pH 5.5): -2.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 114 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 64.2±3.0 dyne/cm
    Molar Volume: 220.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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