ChemSpider 2D Image | 7'-Amino-1'H-spiro[cycloheptane-1,2'-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one | C12H17N5O

7'-Amino-1'H-spiro[cycloheptane-1,2'-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one

  • Molecular FormulaC12H17N5O
  • Average mass247.296 Da
  • Monoisotopic mass247.143311 Da
  • ChemSpider ID30657946

More details:

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

7'-Amino-1'H-spiro[cycloheptane-1,2'-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one [ACD/IUPAC Name]
Spiro[cycloheptane-1,2'(1'H)-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one, 7'-amino- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 36.81
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.78
ACD/KOC (pH 7.4): 121.10
Polar Surface Area: 93 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 185.3±5.0 cm3

Click to predict properties on the Chemicalize site


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