ChemSpider 2D Image | (5S)-4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine | C15H21N3

(5S)-4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine

  • Molecular FormulaC15H21N3
  • Average mass243.347 Da
  • Monoisotopic mass243.173553 Da
  • ChemSpider ID23233390

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine
(9S)-10-(Cyclopropylmethyl)-1,10-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-amin [German] [ACD/IUPAC Name]
(9S)-10-(Cyclopropylmethyl)-1,10-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-amine [ACD/IUPAC Name]
(9S)-10-(Cyclopropylméthyl)-1,10-diazatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-amine [French] [ACD/IUPAC Name]
2H-1,5-Methano-1,4-benzodiazocin-9-amine, 4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-, (5S)- [ACD/Index Name]
(9S)-10-(cyclopropylmethyl)-1,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
4-Cyclopropylmethyl-3,4,5,6-tetrahydro-2H-1,5-methano-benzo[e][1,4]diazocin-9-ylamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 435.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 213.8±23.5 °C
Index of Refraction: 1.664
Molar Refractivity: 73.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 103.15
Polar Surface Area: 33 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 198.5±5.0 cm3

Click to predict properties on the Chemicalize site


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