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CAS No.: | 342401-48-3 |
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Name: | 1-(IODOMETHYL)-PYRROLIDINE |
Molecular Structure: | |
Formula: | C5H10IN |
Molecular Weight: | 211.04 |
Synonyms: | 1-(IODOMETHYL)-PYRROLIDINE |
Density: | 1.763 g/cm3 |
Boiling Point: | 180.5 °C at 760 mmHg |
Flash Point: | 63 °C |
PSA: | 3.24000 |
LogP: | 1.41260 |
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The Pyrrolidine,1-(iodomethyl)- is an organic compound with the formula C5H10IN. With the CAS registry number 342401-48-3, the systematic name of this chemical is 1-(iodomethyl)pyrrolidine.
Physical properties about Pyrrolidine,1-(iodomethyl)- are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): -0.41; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.15; (6)ACD/KOC (pH 5.5): 1.4; (7)ACD/KOC (pH 7.4): 68.37; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 39.67 cm3; (13)Molar Volume: 119.6 cm3; (14)Polarizability: 15.72×10-24cm3; (15)Surface Tension: 40.9 dyne/cm; (16)Density: 1.763 g/cm3; (17)Flash Point: 63 °C; (18)Enthalpy of Vaporization: 41.68 kJ/mol; (19)Boiling Point: 180.5 °C at 760 mmHg; (20)Vapour Pressure: 0.892 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICN1CCCC1
(2)InChI: InChI=1/C5H10IN/c6-5-7-3-1-2-4-7/h1-5H2
(3)InChIKey: IRDXQTMQWOPUMQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H10IN/c6-5-7-3-1-2-4-7/h1-5H2
(5)Std. InChIKey: IRDXQTMQWOPUMQ-UHFFFAOYSA-N