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351370-99-5

Basic Information
CAS No.: 351370-99-5
Name: 5-BOC-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 351370-99-5 (5-BOC-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE)
Formula: C12H22N2O2
Molecular Weight: 226.319
Synonyms: Octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxylicacid tert-butyl ester;Octahydropyrrolo[3,4-c]pyridine-5-carboxylic acidtert-butyl ester;
Density: 1.053 g/cm3
Boiling Point: 313.81 °C at 760 mmHg
Flash Point: 143.587 °C
Hazard Symbols: N
Risk Codes: 50
Safety: 61
PSA: 41.57000
LogP: 1.72950
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  • 5-BOC-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE

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    5-BOC-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE

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  • 5-Boc-Octahydropyrrolo[3,4-c]pyridine

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  • 5-Boc-octahydro-pyrrolo[3,4-c]pyridine

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  • 5-BOC-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE

  • Casno:

    351370-99-5

    5-BOC-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE

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Specification

The 5H-Pyrrolo[3, 4-c]pyridine-5-carboxylicacid, octahydro-, 1, 1-dimethylethyl ester, with the CAS registry number of 351370-99-5, is also known as Octahydropyrrolo[3,4-c]pyridine-5-carboxylic acidtert-butyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H22N2O2 and molecular weight is 226.32. What's more, its IUPAC name is called tert-Butyl 1, 2, 3, 3α, 4, 6, 7, 7α-octahydropyrrolo[3, 4-c]pyridine-5-carboxylate
.

Physical properties about 5H-Pyrrolo[3, 4-c]pyridine-5-carboxylicacid, octahydro-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 62.06 cm3; (13)Molar Volume: 214.9 cm3; (14)Polarizability: 24.6×10-24 cm3; (15)Surface Tension: 35.2 dyne/cm; (16)Density: 1.052 g/cm3; (17)Flash Point: 143.6 °C; (18)Enthalpy of Vaporization: 55.49 kJ/mol; (19)Boiling Point: 313.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000485 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC2CNCC2C1
(2) InChI: InChI=1/C12H22N2O2/c1-12(2,3)16-11(15)14-5-4-9-6-13-7-10(9)8-14/h9-10,13H,4-8H2,1-3H3
(3) InChIKey: LRTPRHCNWAEZBN-UHFFFAOYAJ