Name: 3-Methylpyrrolidine
SKU: 34375-89-8

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Basic Information

Molecular Structure:
CAS No.:	34375-89-8
Name:	3-Methylpyrrolidine
Article Data:	2

Formula:	C₅H₁₁N
Molecular Weight:	85.149
Synonyms:	3-Methylpyrrolidine;
Density:	0.812 g/cm³
Melting Point:	-102.75°C
Boiling Point:	100.2 °C at 760 mmHg
Flash Point:	0.5 °C
PSA:	12.03000
LogP:	1.74660

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Specification

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