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128740-18-1

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Basic Information
CAS No.: 128740-18-1
Name: 1-Methyl-octahydropyrrolo[3.4-b]pyridine
Molecular Structure:
Molecular Structure of 128740-18-1 (1-Methyl-octahydropyrrolo[3.4-b]pyridine)
Formula: C8H16N2
Molecular Weight: 140.228
Synonyms: Octahydro-1-methyl-1H-Pyrrolo[3,4-b]pyridine;
Density: 0.948g/cm3
Boiling Point: 185.4 °C at 760 mmHg
Flash Point: 65.9 °C
PSA: 15.27000
LogP: 0.56670
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Specification

The 1-Methyloctahydropyrrolo[3,4-b]pyridine, with CAS registry number 128740-18-1, has the systematic name of 1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine. Its molecular weight is 140.23. And the chemical formula of this chemical is C8H16N2.

Physical properties of 1-Methyloctahydropyrrolo[3,4-b]pyridine: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 15.27 Å2; (7)Index of Refraction: 1.479; (8)Molar Refractivity: 41.95 cm3; (9)Molar Volume: 147.7 cm3; (10)Polarizability: 16.63×10-24cm3; (11)Surface Tension: 28.6 dyne/cm; (12)Density: 0.948 g/cm3; (13)Flash Point: 65.9 °C; (14)Enthalpy of Vaporization: 42.16 kJ/mol; (15)Boiling Point: 185.4 °C at 760 mmHg; (16)Vapour Pressure: 0.698 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCCC2C1CNC2
(2)InChI: InChI=1/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3
(3)InChIKey: QVLUVOZDWSAEIP-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3
(5)Std. InChIKey: QVLUVOZDWSAEIP-UHFFFAOYSA-N