CAS No.159877-36-8,1-BOC-OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	159877-36-8
Name:	1-BOC-OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE
Article Data:	8

Formula:	C₁₂H₂₂N₂O₂
Molecular Weight:	226.319
Synonyms:	tert-Butyloctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate;Octahydropyrrolo[3,4-b]pyridine-1-carboxylicacid tert-butyl ester;
Density:	1.053 g/cm³
Boiling Point:	313.81 °C at 760 mmHg
Flash Point:	143.587 °C
PSA:	41.57000
LogP:	1.87200

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Specification

The 1H-Pyrrolo[3,4-b]pyridine-1-carboxylicacid, octahydro-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₂H₂₂N₂O₂. The systematic name of this chemical is Tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate. With the CAS registry number 159877-36-8, it is also named as 1-Boc-octahydropyrrolo[3,4-b]pyridine. The product's category is Pharmacetical. Besides, its molecular weight is 226.32.

Physical properties about 1H-Pyrrolo[3,4-b]pyridine-1-carboxylicacid, octahydro-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.89; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 41.57 Å²; (10)Index of Refraction: 1.489; (11)Molar Refractivity: 62.064 cm³; (12)Molar Volume: 214.966 cm³; (13)Polarizability: 24.604×10^-24 cm³; (14)Surface Tension: 35.287 dyne/cm; (15)Density: 1.053 g/cm³; (16)Flash Point: 143.587 °C; (17)Enthalpy of Vaporization: 55.492 kJ/mol; (18)Boiling Point: 313.81 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14/h9-10,13H,4-8H2,1-3H3
(2)InChIKey: LGEWGFOMLJQHLL-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14/h9-10,13H,4-8H2,1-3H3
(4)Std. InChIKey: LGEWGFOMLJQHLL-UHFFFAOYSA-N