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| CAS No.: | 475-11-6 |
|---|---|
| Name: | N-METHYL-L-PROLINE MONOHYDRATE |
| Article Data: | 57 |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | Hygric acid(6CI);Proline, 1-methyl-, L- (7CI,8CI);(-)-Hygric acid;(-)-Hygrinic acid;(2S)-1-Methyl-2-pyrrolidinecarboxylic acid;(2S)-1-Methylpyrrolidine-2-carboxylicacid;(S)-1-Methylpyrrolidine-2-carboxylic acid;Hygrinic acid;N-Methyl-L-proline;N-Methylproline;H-N-Me-Pro-OH; |
| Density: | 1.153 g/cm3 |
| Melting Point: | 114-116 °C(lit.) |
| Boiling Point: | 227.1 °C at 760 mmHg |
| Flash Point: | 91.1 °C |
| Solubility: | Soluble in water and methanol(both 50 mg/ml-clear-colorless solution) |
| PSA: | 40.54000 |
| LogP: | 0.10310 |
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Specification
This chemical is called N-methyl-L-proline, and its systematic name is 1-methyl-L-proline. With the CAS registry number of 475-11-6, its product categories are Amino Acids; I - Z; Modified Amino Acids. Additionally, this chemical should be stored at the temperature of -20°C.
Other characteristics of the N-methyl-L-proline can be summarised as followings: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 32.82 cm3; (15)Molar Volume: 112 cm3; (16)Polarizability: 13.01×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.153 g/cm3; (19)Flash Point: 91.1 °C; (20)Enthalpy of Vaporization: 51.07 kJ/mol; (21)Boiling Point: 227.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0286 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H]1N(C)CCC1
2.InChI: InChI=1/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
3.InChIKey: CWLQUGTUXBXTLF-YFKPBYRVBP