1-Boc-3-Cbz-aminopyrrolidine supplier

Name
1-Boc-3-Cbz-aminopyrrolidine
EINECS
CAS No. 325775-36-8
Article Data6
CAS DataBase
Density 1.174 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₄N₂O₄
Boiling Point 458.135 °C at 760 mmHg
Molecular Weight 320.389
Flash Point 230.872 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 3-{[(benzyloxy)carbonyl]amino}pyrrolidine-1-carboxylate;3-Benzyloxycarbonylamino-pyrrolidine-1-carboxylic acid tert-butyl ester;
PSA 67.87000
LogP 3.25100

1-Boc-3-Cbz-aminopyrrolidine Specification

The 1-Boc-3-Cbz-aminopyrrolidine, with the CAS registry number 325775-36-8, is also known as 3-Methylaminopyrrolidine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C₁₇H₂₄N₂O₄ and molecular weight is 320.17. What's more, its systematic name is tert-butyl 3-{[(benzyloxy)carbonyl]amino}pyrrolidine-1-carboxylate.

Physical properties of 1-Boc-3-Cbz-aminopyrrolidine are: (1)ACD/LogP: 2.94; (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: 230.872 °C; (20)Enthalpy of Vaporization: 71.839 kJ/mol; (21)Boiling Point: 458.135 °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(OC(C)(C)C)N2CCC(NC(=O)OCc1ccccc1)C2
(2)Std. InChI: InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-9-14(11-19)18-15(20)22-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
(3)Std. InChIKey: WLSYDQGCKDPQPL-UHFFFAOYSA-N

Product Name

1-Boc-3-Cbz-aminopyrrolidine

1-Boc-3-Cbz-aminopyrrolidine Specification

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