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5654-94-4

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Basic Information
CAS No.: 5654-94-4
Name: 1H-octahydropyrrolo[3,4-b]pyridine
Article Data: 6
Molecular Structure:
Molecular Structure of 5654-94-4 (1H-octahydropyrrolo[3,4-b]pyridine)
Formula: C7H14N2
Molecular Weight: 126.202
Synonyms: 2,8-Diazabicyclo[4.3.0]nonane;
Density: 0.95 g/cm3
Boiling Point: 198.5 °C at 760 mmHg
Flash Point: 87.1 °C
PSA: 24.06000
LogP: 0.61540
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Chemistry

Molecular Structure of 1H-octahydropyrrolo[3,4-b]pyridine (CAS NO.5654-94-4):

Empirical Formula: C7H14N2
Molecular Weight: 126.1995
CAS: 5654-94-4
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 6.48 Å2
Index of Refraction: 1.469
Molar Refractivity: 37.03 cm3
Molar Volume: 132.7 cm3
Surface Tension: 31.5 dyne/cm
Density: 0.95 g/cm3
Flash Point: 87.1 °C
Enthalpy of Vaporization: 43.47 kJ/mol
Boiling Point: 198.5 °C at 760 mmHg
Vapour Pressure: 0.358 mmHg at 25°C
SMILES: N2CC1NCCCC1C2
InChI: InChI=1/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2

Specification

  1H-octahydropyrrolo[3,4-b]pyridine , with CAS number of 5654-94-4, can be called 2,8-Diazabicyclo[4.3.0]nonane ; 1H-octahydropyrrolo[3,4-b]pyridine .