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| CAS No.: | 68078-09-1 |
|---|---|
| Name: | 1-Methylpyrrolidine-2-carboxylic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | 1-Methylproline; |
| Density: | 1.153 g/cm3 |
| Melting Point: | 116 °C |
| Boiling Point: | 227.1 °C at 760 mmHg |
| Flash Point: | 91.1 °C |
| PSA: | 40.54000 |
| LogP: | 0.10310 |
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Specification
This chemical is called 1-Methylpyrrolidine-2-carboxylic acid, and its systematic name is 1-methylproline. With the molecular formula of C6H11NO2, its molecular weight is 129.15704. The CAS registry number of this chemical is 68078-09-1.
Other characteristics of the 1-Methylpyrrolidine-2-carboxylic acid 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)C1N(C)CCC1
2.InChI: InChI=1/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
3.InChIKey: CWLQUGTUXBXTLF-UHFFFAOYAJ