D-Pyroglutamic acid tert-butyl ester supplier

Name
D-PYROGLUTAMIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 205524-46-5
Article Data2
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₉H₁₅NO₃
Boiling Point 319.192 °C at 760 mmHg
Molecular Weight 185.223
Flash Point 146.842 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Oxo-d-proline 1,1-dimethylethyl ester;D-PYROGLUTAMIC ACID TERT-BUTYL ESTER;(R)-5-Oxo-pyrrolidine-2-carboxylic acid tert-butyl ester;
PSA 55.40000
LogP 0.93550

D-Pyroglutamic acid tert-butyl ester Specification

The Tret-butyl 5-oxo-D-prolinate, with the CAS registry number 205524-46-5, has the systematic name of tert-butyl (2R)-5-oxopyrrolidine-2-carboxylate. It is a kind of organics, and should be soterd in the dry and cool environment, the molecular formula of this chemical is C₉H₁₅NO₃.

The physical properties of Tret-butyl 5-oxo-D-prolinate are as followings: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 46.74 cm³; (15)Molar Volume: 168.427 cm³; (16)Polarizability: 18.529×10^-24cm³; (17)Surface Tension: 36.531 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 146.842 °C; (20)Enthalpy of Vaporization: 56.076 kJ/mol; (21)Boiling Point: 319.192 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)C1CCC(=O)N1
(2)InChI: InChI=1/C9H15NO3/c1-9(2,3)13-8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1
(3)InChIKey: QXGSPAGZWRTTOT-ZCFIWIBFBL

Product Name

D-PYROGLUTAMIC ACID TERT-BUTYL ESTER

D-Pyroglutamic acid tert-butyl ester Specification

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