1-Methylproline supplier | CasNO.68078-09-1

Name
1-Methylpyrrolidine-2-carboxylic acid
EINECS
CAS No. 68078-09-1
Article Data2
CAS DataBase
Density 1.153 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methylproline;
PSA 40.54000
LogP 0.10310

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

Product Name

1-Methylpyrrolidine-2-carboxylic acid

1-Methylproline Specification

Related Products

Hot Products