Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel- supplier

Name
(cis)-5-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole
EINECS
CAS No. 180975-51-3
Article Data7
CAS DataBase
Density 1.076 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀N₂O₂
Boiling Point 295.397 °C at 760 mmHg
Molecular Weight 212.292
Flash Point 132.451 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, cis-;cis-Hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester;tert-Butyl cis-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate;
PSA 41.57000
LogP 1.48190

Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel- Specification

The CAS register number of Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel- is 180975-51-3. It also can be called as cis-Hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester and the systematic name about this chemical is tert-butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate. The molecular formula about this chemical is C₁₁H₂₀N₂O₂ and the molecular weight is 212.2887.

Physical properties about Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel- are: (1)ACD/LogP: 1.58; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 41.57 Å²; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 57.452 cm³; (12)Molar Volume: 197.228 cm³; (13)Polarizability: 22.776x10^-24cm³; (14)Surface Tension: 36.224 dyne/cm; (15)Density: 1.076 g/cm³; (16)Flash Point: 132.451 °C; (17)Enthalpy of Vaporization: 53.51 kJ/mol; (18)Boiling Point: 295.397 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1C[C@@H]2CCN[C@@H]2C1(2)InChI: InChI=1/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
(3)InChIKey: NYGXZCRPVBPJTA-DTWKUNHWBK
(4)Std. InChI: InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
(5)Std. InChIKey: NYGXZCRPVBPJTA-DTWKUNHWSA-N

Product Name

(cis)-5-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole

Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel- Specification

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