CAS No.250275-15-1,cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	250275-15-1
Name:	cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole
Article Data:	6

Formula:	C₁₁H₂₀N₂O₂
Molecular Weight:	212.292
Synonyms:	cis-Octahydropyrrolo[3,4-c]pyrrole-2-carboxylicacid tert-butyl ester;tert-Butylcis-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate;tert-Butylrel-(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate;
Density:	1.076 g/cm³
Boiling Point:	295.397 °C at 760 mmHg
Flash Point:	132.451 °C
PSA:	41.57000
LogP:	1.33940

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Specification

The Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3alphaR,6alphaS)-rel-, with the CAS registry number 250275-15-1, is also known as cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₁H₂₀N₂O₂ and molecular weight is 212.2887. Its IUPAC name is called tert-butyl (3alphaR,6alphaS)-2,3,3alpha,4,6,6alpha-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.

Physical properties of Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3alphaR,6alphaS)-rel-: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): -2.47; (3)ACD/LogD (pH 7.4): -2.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 57.45 cm³; (13)Molar Volume: 197.2 cm³; (14)Surface Tension: 36.2 dyne/cm; (15)Density: 1.076 g/cm³; (16)Flash Point: 132.5 °C; (17)Enthalpy of Vaporization: 53.51 kJ/mol; (18)Boiling Point: 295.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CC2CNCC2C1
(2)Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@H]2CNC[C@H]2C1
(3)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/t8-,9+
(4)InChIKey: FYUVLZRRIRGSTE-DTORHVGOSA-N