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CAS No.: | 63399-77-9 |
---|---|
Name: | H-ALPHA-ME-D-PRO-OH |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | (R)-2-Methylproline; |
Density: | 1.119 g/cm3 |
Melting Point: | 340 °C |
Boiling Point: | 241.912 °C at 760 mmHg |
Flash Point: | 100.105 °C |
PSA: | 49.33000 |
LogP: | 0.54190 |
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The (R)-2-Methylpyrrolidine-2-carboxylic acid, with the CAS registry number 63399-77-9, is also known as (R)-2-Methylproline. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C6H11NO2 and molecular weight is 129.16. What's more, its IUPAC name is the same with its product name.
Physical properties about this chemical are: (1)ACD/LogP: 0.321; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.18; (4)ACD/LogD (pH 7.4): -2.18; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 32.516 cm3; (15)Molar Volume: 115.421 cm3; (16)Polarizability: 12.89×10-24cm3; (17)Surface Tension: 38.446 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 100.105 °C; (20)Enthalpy of Vaporization: 52.74 kJ/mol; (21)Boiling Point: 241.912 °C at 760 mmHg; (22)Vapour Pressure: 0.0120 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@@]1(C)CCCN1
(2) InChI: InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
(3) InChIKey: LWHHAVWYGIBIEU-ZCFIWIBFSA-N