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Name |
1-Cbz-3-Boc-amino pyrrolidine |
EINECS | N/A |
CAS No. | 185057-49-2 | Density | 1.174 g/cm3 |
PSA | 71.36000 | LogP | 3.06450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H24N2O4 | Boiling Point | 458.496 °C at 760 mmHg |
Molecular Weight | 320.389 | Flash Point | 231.091 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzyl 3-[(tert-butoxycarbonyl)amino]pyrrolidine-1-carboxylate;3-tert-Butoxycarbonylaminopyrrolidine-1-carboxylic acid benzyl ester; |
Article Data | 7 |
The 1-Cbz-3-Boc-amino pyrrolidine, with the CAS registry number 185057-49-2, is also known as 3-tert-Butoxycarbonylaminopyrrolidine-1-carboxylic acid benzyl ester. This chemical's molecular formula is C17H24N2O4 and molecular weight is 320.17. What's more, its systematic name is benzyl 3-[(tert-butoxycarbonyl)amino]pyrrolidine-1-carboxylate.
Physical properties of 1-Cbz-3-Boc-amino pyrrolidine are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 63; (6)ACD/BCF (pH 7.4): 63; (7)ACD/KOC (pH 5.5): 675; (8)ACD/KOC (pH 7.4): 675; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 67.87 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 86.878 cm3; (15)Molar Volume: 273 cm3; (16)Polarizability: 34.441×10-24cm3; (17)Surface Tension: 46.983 dyne/cm; (18)Density: 1.174 g/cm3; (19)Flash Point: 231.091 °C; (20)Enthalpy of Vaporization: 71.882 kJ/mol; (21)Boiling Point: 458.496 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCC(NC(=O)OC(C)(C)C)C2
(2)Std. InChI: InChI=1S/C17H24N2O4/c1-17(2,3)23-15(20)18-14-9-10-19(11-14)16(21)22-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
(3)Std. InChIKey: VCCUTXNUDLVCTI-UHFFFAOYSA-N