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| CAS No.: | 31137-95-8 |
|---|---|
| Name: | (2R,4R)-4-METHYL-2-PYROOLIDINE CARBOXYLIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | (4R)-4-Methyl-D-proline; |
| Density: | 1.104 g/cm3 |
| Boiling Point: | 250.2 °C at 760 mmHg |
| Flash Point: | 105.1 °C |
| PSA: | 49.33000 |
| LogP: | 0.39780 |
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- Total:23 Page 1 of 1 1
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Specification
The D-Proline, 4-methyl-, (4R)-, with the CAS registry number 31137-95-8, is also known as (4R)-4-Methyl-D-proline. This chemical's molecular formula is C6H11NO2 and molecular weight is 129.16. What's more, its systematic name is (2R, 4R)-4-Methylpyrrolidine-2-carboxylic acid.
Physical properties about D-Proline, 4-methyl-, (4R)- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 49.33 Å2; (6)Index of Refraction: 1.469; (7)Molar Refractivity: 32.61 cm3; (8)Molar Volume: 116.9 cm3; (9)Polarizability: 12.92×10-24 cm3; (10)Surface Tension: 36.2 dyne/cm; (11)Density: 1.104 g/cm3; (12)Flash Point: 105.1 °C; (13)Enthalpy of Vaporization: 53.68 kJ/mol; (14)Boiling Point: 250.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00694 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@H]1C[C@@H](C)CN1
(2) InChI: InChI=1/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
(3) InChIKey: KKJQZEWNZXRJFG-RFZPGFLSBW