1-Pyrazolidinecarboxylicacid, 1,1-dimethylethyl ester supplier

Name
Pyrazolidine, N1-BOC protected
EINECS
CAS No. 57699-91-9
Article Data13
CAS DataBase
Density 1.057 g/cm³
Solubility
Melting Point
Formula C₈H₁₆N₂O₂
Boiling Point 214.636 °C at 760 mmHg
Molecular Weight 172.227
Flash Point 83.609 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms tert-Butyl 1-pyrazolidinecarboxylate;Pyrazolidine, N1-BOC protected;
PSA 41.57000
LogP 1.39850

1-Pyrazolidinecarboxylicacid, 1,1-dimethylethyl ester Specification

The 1-Pyrazolidinecarboxylicacid, 1,1-dimethylethyl ester, with the CAS registry number 57699-91-9, is also known as tert-Butyl 1-pyrazolidinecarboxylate. This chemical's molecular formula is C₈H₁₆N₂O₂ and molecular weight is 172.22. What's more, its systematic name is tert-butyl pyrazolidine-1-carboxylate. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 1-Pyrazolidinecarboxylicacid, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34; (8)ACD/KOC (pH 7.4): 36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 45.565 cm³; (15)Molar Volume: 162.993 cm³; (16)Polarizability: 18.063×10^-24cm³; (17)Surface Tension: 35.266 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 83.609 °C; (20)Enthalpy of Vaporization: 45.097 kJ/mol; (21)Boiling Point: 214.636 °C at 760 mmHg; (22)Vapour Pressure: 0.154 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCCN1
(2)Std. InChI: InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h9H,4-6H2,1-3H3
(3)Std. InChIKey: MYFMFEXSUJUPEC-UHFFFAOYSA-N

Product Name

Pyrazolidine, N1-BOC protected

1-Pyrazolidinecarboxylicacid, 1,1-dimethylethyl ester Specification

Related Products

Hot Products