ChemSpider 2D Image | N-[(1S)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-1,2-dihydroxyethyl]-7-[(E)-(hydrazinomethylene)amino]heptanimidic acid | C17H37N7O3

N-[(1S)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-1,2-dihydroxyethyl]-7-[(E)-(hydrazinomethylene)amino]heptanimidic acid

  • Molecular FormulaC17H37N7O3
  • Average mass387.521 Da
  • Monoisotopic mass387.295776 Da
  • ChemSpider ID57263212

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-[(1S)-2-({4-[(3-aminopropyl)amino]butyl}imino)-1,2-dihydroxyéthyl]-7-[(E)-(hydrazinométhylène)amino]heptanimidique [French] [ACD/IUPAC Name]
Heptanimidic acid, N-[(1S)-2-[[4-[(3-aminopropyl)amino]butyl]imino]-1,2-dihydroxyethyl]-7-[[(1E)-hydrazinylmethylene]amino]- [ACD/Index Name]
N-[(1S)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-1,2-dihydroxyethyl]-7-[(E)-(hydrazinomethylen)amino]heptanimidsäure [German] [ACD/IUPAC Name]
N-[(1S)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-1,2-dihydroxyethyl]-7-[(E)-(hydrazinomethylene)amino]heptanimidic acid [ACD/IUPAC Name]
7-[(AMINOIMINOMETHYL)AMINO]-N-[(1S)-2-[[4-[(3-AMINOPROPYL)AMINO]BUTYL]AMINO]-1-HYDROXY-2-OXOETHYL]HEPTANAMIDE
89149-10-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 325.1±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 9
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -5.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 315.2±7.0 cm3

Click to predict properties on the Chemicalize site


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