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CAS No.: | 25712-60-1 |
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Name: | 1-Methylpyrrolidine-3-carboxylic acid |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | Achyranthine(6CI); |
Density: | 1.153 g/cm3 |
Boiling Point: | 227.1 °C at 760 mmHg |
Flash Point: | 91.1 °C |
PSA: | 40.54000 |
LogP: | -0.03940 |
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This chemical is called 1-Methylpyrrolidine-3-carboxylic acid, and it can also be named as 3-pyrrolidinecarboxylic acid, 1-methyl-. With the molecular formula of C6H11NO2, its molecular weight is 129.16. The CAS registry number of this chemical is 25712-60-1. Additionally, its product categories are Pyrrolidine Series; Carboxylic Acids; Pyrrolidines; Carboxylic Acids.
Other characteristics of the 1-Methylpyrrolidine-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 32.82 cm3; (13)Molar Volume: 112 cm3; (14)Polarizability: 13.01×10-24cm3; (15)Surface Tension: 43.1 dyne/cm; (16)Density: 1.153 g/cm3; (17)Flash Point: 91.1 °C; (18)Enthalpy of Vaporization: 51.07 kJ/mol; (19)Boiling Point: 227.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0286 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C1CN(C)CC1
2.InChI: InChI=1/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
3.InChIKey: LJGFIWDOHOWUOY-UHFFFAOYAY