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CAS No.: | 76946-27-5 |
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Name: | 2-(Methoxymethyl)pyrrolidine |
Molecular Structure: | |
Formula: | C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | Pyrrolidine,2-(methoxymethyl)-, (?à)-;2-(Methoxymethyl)pyrrolidine;2-Methoxymethylpyrrolidin; |
Density: | 0.894 g/cm3 |
Boiling Point: | 141.9 °C at 760 mmHg |
Flash Point: | 46.3 °C |
PSA: | 21.26000 |
LogP: | 0.71360 |
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The CAS register number of 2-(Methoxymethyl)pyrrolidine is 76946-27-5. It also can be called as Pyrrolidine,2-(methoxymethyl)- and the systematic name about this chemical is 2-(methoxymethyl)pyrrolidine. The molecular formula about this chemical is C6H13NO and molecular weight is 115.17.
Physical properties about 2-(Methoxymethyl)pyrrolidine are: (1)ACD/LogP: -0.03; (2)ACD/LogD (pH 5.5): -3.13; (3)ACD/LogD (pH 7.4): -2.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 32.86 cm3; (14)Molar Volume: 128.6 cm3; (15)Polarizability: 13.02x10-24cm3; (16)Surface Tension: 28.2 dyne/cm; (17)Enthalpy of Vaporization: 37.91 kJ/mol; (18)Boiling Point: 141.9 °C at 760 mmHg; (19)Vapour Pressure: 5.73 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C)CC1NCCC1
(2)InChI: InChI=1/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3
(3)InChIKey: CHPRFKYDQRKRRK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3
(5)Std. InChIKey: CHPRFKYDQRKRRK-UHFFFAOYSA-N