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90071-62-8

Basic Information
CAS No.: 90071-62-8
Name: H-D-PRO-OTBU
Article Data: 3
Molecular Structure:
Molecular Structure of 90071-62-8 (H-D-PRO-OTBU)
Formula: C9H17NO2
Molecular Weight: 171.239
Synonyms: (R)-Pyrrolidine-2-carboxylicacid tert-butyl ester;D-Proline tert-butyl ester;
Density: 0.995g/cm3
Boiling Point: 219.2 °C at 760 mmHg
Flash Point: 86.4 °C
Hazard Symbols: Xn
Risk Codes: 22-37/38-41-51
Safety: 26-39
PSA: 38.33000
LogP: 1.40890
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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