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CAS No.: | 131180-52-4 |
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Name: | (S)-ALPHA,ALPHA-BIS(4-METHYLPHENYL)-2-PYRROLIDINEMETHANOL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C19H23NO |
Molecular Weight: | 281.39202 |
Synonyms: | 2-Pyrrolidinemethanol,a,a-bis(4-methylphenyl)-, (S)-; |
Density: | 1.094g/cm3 |
Melting Point: | 93-94 °C |
Boiling Point: | 442.3 °C at 760 mmHg |
Flash Point: | 123.3 °C |
PSA: | 32.26000 |
LogP: | 3.62010 |
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The 2-Pyrrolidinemethanol, a,a-bis(4-methylphenyl)-, (2S)-, with CAS registry number 131180-52-4, has the systematic name of bis(4-methylphenyl)[(2S)-pyrrolidin-2-yl]methanol. Besides this, it is also called (S)-Alpha,alpha-bis(4-methylphenyl)-2-pyrrolidinemethanol. And the chemical formula of this chemical is C19H23NO.
Physical properties of 2-Pyrrolidinemethanol, a,a-bis(4-methylphenyl)-, (2S)-: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 86.11 cm3; (9)Molar Volume: 257 cm3; (10)Polarizability: 34.13×10-24cm3; (11)Surface Tension: 44 dyne/cm; (12)Density: 1.094 g/cm3; (13)Flash Point: 123.3 °C; (14)Enthalpy of Vaporization: 73.75 kJ/mol; (15)Boiling Point: 442.3 °C at 760 mmHg; (16)Vapour Pressure: 1.33E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccc(cc1)C)(c2ccc(cc2)C)[C@H]3NCCC3
(2)InChI: InChI=1/C19H23NO/c1-14-5-9-16(10-6-14)19(21,18-4-3-13-20-18)17-11-7-15(2)8-12-17/h5-12,18,20-21H,3-4,13H2,1-2H3/t18-/m0/s1
(3)InChIKey: FFFPARXSSPKJIS-SFHVURJKBZ
(4)Std. InChI: InChI=1S/C19H23NO/c1-14-5-9-16(10-6-14)19(21,18-4-3-13-20-18)17-11-7-15(2)8-12-17/h5-12,18,20-21H,3-4,13H2,1-2H3/t18-/m0/s1
(5)Std. InChIKey: FFFPARXSSPKJIS-SFHVURJKSA-N