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CAS No.: | 67463-44-9 |
---|---|
Name: | N-ME-CIS-HYDROXYPROLINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H11NO3 |
Molecular Weight: | 145.158 |
Synonyms: | 1-Methyl-cis-4-hydroxy-L-proline; |
Density: | 1.331 g/cm3 |
Boiling Point: | 316.2 °C at 760 mmHg |
Flash Point: | 145 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36-43 |
Safety: | 26-36/37 |
PSA: | 60.77000 |
LogP: | -0.92610 |
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The L-Proline, 4-hydroxy-1-methyl-, (4S)-, with the CAS registry number of 67463-44-9, is also known as 1-Methyl-cis-4-hydroxy-L-proline. Its molecular formula is C6H11NO3 and molecular weight is 145.16. What's more, its systematic name is (2R,4S)-4-Hydroxy-1-methyl-pyrrolidine-2-carboxylic acid.
Physical properties about the L-Proline, 4-hydroxy-1-methyl-, (4S)- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 60.77 Å2; (6)Index of Refraction: 1.544; (7)Molar Refractivity: 34.41 cm3; (8)Molar Volume: 109 cm3; (9)Surface Tension: 59 dyne/cm; (10)Density: 1.331 g/cm3; (11)Flash Point: 145 °C; (12)Enthalpy of Vaporization: 64.63 kJ/mol; (13)Boiling Point: 316.2 °C at 760 mmHg; (14)Vapour Pressure: 3.53E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN1CC(CC1C(=O)O)O
(2) InChI: InChI=1/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5+/m0/s1
(3) InChIKey: FMIPNAUMSPFTHK-CRCLSJGQBS