3-Aminocarbonyl-1-Boc-pyrrolidine supplier

Name
3-Aminocarbonyl-1-Boc-pyrrolidine
EINECS
CAS No. 122684-34-8
Article Data5
CAS DataBase
Density 1.156 g/cm³
Solubility
Melting Point 117.0 to 121.0 °C
Formula C₁₀H₁₈N₂O₃
Boiling Point 370.071 °C at 760 mmHg
Molecular Weight 214.265
Flash Point 177.613 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Carbamoylpyrrolidine-1-carboxylicacid tert-butyl ester;
PSA 72.63000
LogP 1.36690

3-Aminocarbonyl-1-Boc-pyrrolidine Specification

The 3-Aminocarbonyl-1-Boc-pyrrolidine, with CAS registry number 122684-34-8, belongs to the following product category: pharmacetical. It has the systematic name of tert-butyl 3-carbamoylpyrrolidine-1-carboxylate. And the chemical formula of this chemical is C₁₀H₁₈N₂O₃. This chemical should be stored in cool, dry place in tightly closed containers.

Physical properties of 3-Aminocarbonyl-1-Boc-pyrrolidine: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.379; (4)ACD/LogD (pH 7.4): 0.379; (5)ACD/BCF (pH 5.5): 1.143; (6)ACD/BCF (pH 7.4): 1.143; (7)ACD/KOC (pH 5.5): 38.301; (8)ACD/KOC (pH 7.4): 38.301; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.63 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 54.936 cm³; (15)Molar Volume: 185.38 cm³; (16)Polarizability: 21.778×10^-24cm³; (17)Surface Tension: 45.687 dyne/cm; (18)Enthalpy of Vaporization: 61.692 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
(2)InChI: InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
(3)InChIKey: NHDGOVOBEZPXMY-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
(5)Std. InChIKey: NHDGOVOBEZPXMY-UHFFFAOYSA-N

Product Name

3-Aminocarbonyl-1-Boc-pyrrolidine

3-Aminocarbonyl-1-Boc-pyrrolidine Specification

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