1-Benzylhexahydropyrrolo[3,4-b]pyrrole supplier

Name
1-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE
EINECS
CAS No. 132414-50-7
Article Data2
CAS DataBase
Density 1.074 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂
Boiling Point 304.35 °C at 760 mmHg
Molecular Weight 202.299
Flash Point 127.717 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE;1-Benzylhexahydropyrrolo[3,4-b]pyrrole
PSA 15.27000
LogP 1.74700

1-Benzylhexahydropyrrolo[3,4-b]pyrrole Specification

The 1-Benzylhexahydropyrrolo[3,4-b]pyrrole, with CAS registry number 132414-50-7, belongs to the following product categorie: Heterocycles series. It has the systematic name of 1-benzyloctahydropyrrolo[3,4-b]pyrrole. Besides this, it is also called Pyrrolo[3,4-b]pyrrole, octahydro-1-(phenylmethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.65; (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)Polar Surface Area: 15.27 Å²; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 61.804 cm³; (13)Molar Volume: 188.348 cm³; (14)Polarizability: 24.501×10^-24cm³; (15)Surface Tension: 40.667 dyne/cm; (16)Enthalpy of Vaporization: 54.471 kJ/mol; (17)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(c1ccccc1)N3CCC2CNCC23
(2)InChI: InChI=1/C13H18N2/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2
(3)InChIKey: LODPYENASSOOBD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2
(5)Std. InChIKey: LODPYENASSOOBD-UHFFFAOYSA-N

Product Name

1-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE

1-Benzylhexahydropyrrolo[3,4-b]pyrrole Specification

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