D-Proline,1,1-dimethylethyl ester supplier

Name
H-D-PRO-OTBU
EINECS
CAS No. 90071-62-8
Article Data3
CAS DataBase
Density 0.995g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO₂
Boiling Point 219.2 °C at 760 mmHg
Molecular Weight 171.239
Flash Point 86.4 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41-51
Molecular Structure
Hazard Symbols Xn
Synonyms (R)-Pyrrolidine-2-carboxylicacid tert-butyl ester;D-Proline tert-butyl ester;
PSA 38.33000
LogP 1.40890

D-Proline,1,1-dimethylethyl ester Specification

The D-Proline,1,1-dimethylethyl ester, with CAS registry number 90071-62-8, belongs to the following product categories: (1)Amino Acids and Derivatives; (2)Amino ester; (3)Amino Acid Derivatives. It has the systematic name of tert-butyl D-prolinate. And this chemical should be stored at the temperature of -15°C.

Physical properties of D-Proline,1,1-dimethylethyl ester: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å²; (7)Index of Refraction: 1.454; (8)Molar Refractivity: 46.6 cm³; (9)Molar Volume: 171.9 cm³; (10)Polarizability: 18.47×10^-24cm³; (11)Surface Tension: 31.9 dyne/cm; (12)Enthalpy of Vaporization: 45.56 kJ/mol; (13)Vapour Pressure: 0.121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)[C@@H]1NCCC1
(2)InChI: InChI=1/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
(3)InChIKey: XJJBXZIKXFOMLP-SSDOTTSWBN
(4)Std. InChI: InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
(5)Std. InChIKey: XJJBXZIKXFOMLP-SSDOTTSWSA-N

Product Name

H-D-PRO-OTBU

D-Proline,1,1-dimethylethyl ester Specification

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