2-Boc-hexahydropyrrolo[3,4-c]pyrrole supplier

Name
2-BOC-HEXAHYDRO-PYRROLO[3,4-C]PYRROLE
EINECS
CAS No. 141449-85-6
Article Data11
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀N₂O₂
Boiling Point 293.115 °C at 760 mmHg
Molecular Weight 212.292
Flash Point 131.071 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(tert-Butoxycarbonyl)hexahydropyrrolo[3,4-c]pyrrole;3-Boc-3,7-diazabicyclo[3.3.0]octane;Hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid tert-butyl ester;Hexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-3,7-diazabicyclo[3.3.0]octane;
PSA 41.57000
LogP 1.33940

2-Boc-hexahydropyrrolo[3,4-c]pyrrole Specification

The systematic name of cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole is tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate. With the CAS registry number 141449-85-6, it is also named as 2-(tert-Butoxycarbonyl)hexahydropyrrolo[3,4-c]pyrrole. The product's category is Pharmacetical. In addition, its molecular formula is C₁₁H₂₀N₂O₂ and molecular weight is 212.29.

The other characteristics of cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole can be summarized as: (1)ACD/LogP: 1.51; (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): 1.135; (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: 1.494; (12)Molar Refractivity: 57.452 cm³; (13)Molar Volume: 197.228 cm³; (14)Polarizability: 22.776×10^-24cm³; (15)Surface Tension: 36.224 dyne/cm; (16)Density: 1.076 g/cm³; (17)Flash Point: 132.451 °C; (18)Enthalpy of Vaporization: 53.51 kJ/mol; (19)Boiling Point: 295.397 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OC(=O)N1CC2CNCC2C1
(2)InChI: InChI=1/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h8-9,12H,4-7H2,1-3H3
(3)InChIKey: FYUVLZRRIRGSTE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h8-9,12H,4-7H2,1-3H3
(5)Std. InChIKey: FYUVLZRRIRGSTE-UHFFFAOYSA-N

Product Name

2-BOC-HEXAHYDRO-PYRROLO[3,4-C]PYRROLE

2-Boc-hexahydropyrrolo[3,4-c]pyrrole Specification

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