CAS No.128740-14-7,6-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128740-14-7
Name:	6-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE
Article Data:	26

Formula:	C₁₄H₂₀N₂
Molecular Weight:	216.326
Synonyms:	6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
Density:	1.05 g/cm³
Boiling Point:	322.249 °C at 760 mmHg
Flash Point:	130.752 °C
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	15.27000
LogP:	2.13710

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Specification

The 1H-Pyrrolo[3,4-b]pyridine,octahydro-6-(phenylmethyl)-, with CAS registry number 128740-14-7, belongs to the following product category: Pharmacetical. It has the systematic name of 6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine. And the chemical formula of this chemical is C₁₄H₂₀N₂.

Physical properties of 1H-Pyrrolo[3,4-b]pyridine,octahydro-6-(phenylmethyl)-: (1)ACD/LogP: 2.11; (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: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.557; (11)Molar Refractivity: 66.41 cm³; (12)Molar Volume: 206 cm³; (13)Polarizability: 26.32×10^-24cm³; (14)Surface Tension: 39.2 dyne/cm; (15)Density: 1.049 g/cm³; (16)Flash Point: 130.8 °C; (17)Enthalpy of Vaporization: 56.41 kJ/mol; (18)Boiling Point: 322.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000283 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Pyrrolo[3,4-b]pyridine,octahydro-6-(phenylmethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N1CCCC2CN(CC12)Cc3ccccc3
(2)InChI: InChI=1/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2
(3)InChIKey: AFYZAHZKOFBVLE-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2
(5)Std. InChIKey: AFYZAHZKOFBVLE-UHFFFAOYSA-N