1-Boc-3-cyano-4-oxopyrrolidine supplier

Name
1-Boc-3-cyano-4-oxopyrrolidine
EINECS 700-004-9
CAS No. 175463-32-8
Article Data12
CAS DataBase
Density 1.187 g/cm³
Solubility Insoluble in water
Melting Point 160-167 °C
Formula C₁₀H₁₄N₂O₃
Boiling Point 360.738 °C at 760 mmHg
Molecular Weight 210.233
Flash Point 171.968 °C
Transport Information UN 3439
Appearance
Safety 9-26-36/37
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1,1-Dimethylethyl3-cyano-4-oxo-1-pyrrolidinecarboxylate;1-tert-Butoxycarbonyl-4-oxopyrrolidine-3-carbonitrile;tert-Butyl 3-cyano-4-oxo-1-pyrrolidine carboxylate;tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate;
PSA 70.40000
LogP 0.88388

1-Boc-3-cyano-4-oxopyrrolidine Specification

The 1-Boc-3-cyano-4-oxopyrrolidine, with the CAS registry number 175463-32-8, is also known as tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate. It belongs to the product categories of Pharmacetical; Pyrrole & Pyrrolidine & Pyrroline. This chemical's molecular formula is C₁₀H₁₄N₂O₃ and molecular weight is 210.23. What's more, its systematic name is 2-Methyl-2-propanyl 3-cyano-4-oxo-1-pyrrolidinecarboxylate. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 1-Boc-3-cyano-4-oxopyrrolidine are: (1)ACD/LogP: 0.357; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 70.4 Å²; (7)Index of Refraction: 1.5; (8)Molar Refractivity: 52.083 cm³; (9)Molar Volume: 177.167 cm³; (10)Polarizability: 20.647×10^-24cm³; (11)Surface Tension: 46.1 dyne/cm; (12)Density: 1.187 g/cm³; (13)Flash Point: 171.968 °C; (14)Enthalpy of Vaporization: 60.649 kJ/mol; (15)Boiling Point: 360.738 °C at 760 mmHg; (16)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)N1CC(=O)C(C#N)C1
(2)Std. InChI: InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7H,5-6H2,1-3H3
(3)Std. InChIKey: RKUQLKRPWWYRIG-UHFFFAOYSA-N

Product Name

1-Boc-3-cyano-4-oxopyrrolidine

1-Boc-3-cyano-4-oxopyrrolidine Specification

Related Products

Hot Products