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Name |
3-Methylpyrrolidine |
EINECS | N/A |
CAS No. | 34375-89-8 | Density | 0.812 g/cm3 |
PSA | 12.03000 | LogP | 1.74660 |
Solubility | N/A | Melting Point |
-102.75°C |
Formula | C5H11N | Boiling Point | 100.2 °C at 760 mmHg |
Molecular Weight | 85.149 | Flash Point | 0.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methylpyrrolidine; |
Article Data | 2 |
The 3-Methylpyrrolidine with cas registry number of 34375-89-8, belongs to the following product categories: (1)pharmacetical; (2)Benzenes. Its systematic name and its IUPAC name are the same, which is 3-methylpyrrolidine. Besides this, it is also named pyrrolidine, 3-methyl-.
Physical properties about this chemical are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/LogD (pH 7.4): -2.18; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 26.5 cm3; (15)Molar Volume: 104.7 cm3; (16)Polarizability: 10.5×10-24cm3; (17)Surface Tension: 24.2 dyne/cm; (18)Enthalpy of Vaporization: 33.95 kJ/mol; (19)Vapour Pressure: 37.1 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N1CCC(C)C1;
(2)InChI: InChI=1/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3;
(3)InChIKey: KYINPWAJIVTFBW-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3;
(5)Std. InChIKey: KYINPWAJIVTFBW-UHFFFAOYSA-N