(3S,4R)-1-tert-Butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate supplier

Name
(3S,4R)-1-tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate
EINECS
CAS No. 849935-85-9
Article Data7
CAS DataBase
Density 1.222g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁ N O₅
Boiling Point 400.051 °C at 760 mmHg
Molecular Weight 259.302
Flash Point 195.744 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S,4R)-1-tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate;
PSA 76.07000
LogP 0.71520

(3S,4R)-1-tert-Butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate Specification

The (3S,4R)-1-tert-Butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate with cas registry number of 849935-85-9, is also called 1,3-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 3-ethyl ester, (3S,4R)- .

Physical properties of (3S,4R)-1-tert-Butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate : (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.004; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.94; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 87.07 Å²; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 63.758 cm³; (14)Molar Volume: 212.198 cm³; (15)Polarizability: 25.276×10^-24cm³; (16)Surface Tension: 49.436 dyne/cm; (17)Enthalpy of Vaporization: 75.233 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:CCC1(CN(C[C@@H]1O)C(=O)OC(C)(C)C)C(=O)O; (2)InChI:InChI=1/C12H21NO5/c1-5-12(9(15)16)7-13(6-8(12)14)10(17)18-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,15,16)/t8-,12?/m0/s1; (3)InChIKey:LWDTYSPXNWXUFS-KBPLZSHQBB; (4)Std. InChI:InChI=1S/C12H21NO5/c1-5-12(9(15)16)7-13(6-8(12)14)10(17)18-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,15,16)/t8-,12?/m0/s1; (5)Std. InChIKey:LWDTYSPXNWXUFS-KBPLZSHQSA-N.

Product Name

(3S,4R)-1-tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate

(3S,4R)-1-tert-Butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate Specification

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