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151213-39-7

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Basic Information
CAS No.: 151213-39-7
Name: (S,S)-6-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE DIHYDROCHLORIDE
Article Data: 12
Molecular Structure:
Molecular Structure of 151213-39-7 ((S,S)-6-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE DIHYDROCHLORIDE)
Formula: C14H20N2
Molecular Weight: 289.248
Synonyms: 1H-Pyrrolo[3,4-b]pyridine,octahydro-6-(phenylmethyl)-, (4aS-cis)-;(4aS,7aS)-Octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine;(4aS,7aS)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine;
Density: 1.05 g/cm3
Boiling Point: 385.4 °C at 760 mmHg
Flash Point: 186.9 °C
PSA: 15.27000
LogP: 2.13710
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Specification

The 1H-Pyrrolo[3,4-b]pyridine,octahydro-6-(phenylmethyl)-, (4aS,7aS)-, with the CAS registry number 151213-39-7, is also known as (4aS,7aS)-Octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine. This chemical's molecular formula is C14H20N2 and molecular weight is 216.32. What's more, its systematic name is (4aS,7aS)-6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine.

Physical properties of 1H-Pyrrolo[3,4-b]pyridine,octahydro-6-(phenylmethyl)-, (4aS,7aS)- are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 15.27 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 66.416 cm3; (9)Molar Volume: 206.086 cm3; (10)Polarizability: 26.329×10-24cm3; (11)Surface Tension: 39.212 dyne/cm; (12)Density: 1.05 g/cm3; (13)Flash Point: 130.752 °C; (14)Enthalpy of Vaporization: 56.408 kJ/mol; (15)Boiling Point: 322.249 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N1CCC[C@H]2CN(C[C@@H]12)Cc3ccccc3
(2)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/t13-,14+/m0/s1
(3)InChIKey: AFYZAHZKOFBVLE-UONOGXRCSA-N