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1-Methylproline

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Name

1-Methylproline

EINECS N/A
CAS No. 68078-09-1 Density 1.153 g/cm3
PSA 40.54000 LogP 0.10310
Solubility N/A Melting Point 116 °C
Formula C6H11NO2 Boiling Point 227.1 °C at 760 mmHg
Molecular Weight 129.159 Flash Point 91.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 68078-09-1 (1-Methylpyrrolidine-2-carboxylic acid) Hazard Symbols N/A
Synonyms

1-Methylproline;

Article Data 2

1-Methylproline 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

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