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Name |
D-Proline,1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 90071-62-8 | Density | 0.995g/cm3 |
PSA | 38.33000 | LogP | 1.40890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H17NO2 | Boiling Point | 219.2 °C at 760 mmHg |
Molecular Weight | 171.239 | Flash Point | 86.4 °C |
Transport Information | N/A | Appearance | N/A |
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; |
Article Data | 3 |
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