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CAS No.: | 690632-01-0 |
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Name: | [6-(1-PYRROLIDINYL)-3-PYRIDINYL]METHANOL |
Molecular Structure: | |
Formula: | C10H14N | 2O
Molecular Weight: | 178.23 |
Synonyms: | 3-(Hydroxymethyl)-6-(pyrrolidin-1-yl)pyridine; |
Density: | 1.18 g/cm3 |
Melting Point: | 61 °C |
Boiling Point: | 377 °C at 760 mmHg |
Flash Point: | 181.8 °C |
PSA: | 36.36000 |
LogP: | 1.23910 |
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The 3-Pyridinemethanol,6-(1-pyrrolidinyl)-, with the CAS registry number 690632-01-0, is also known as 3-(Hydroxymethyl)-6-(pyrrolidin-1-yl)pyridine. This chemical's molecular formula is C10H14N
2O and molecular weight is 178.23. What's more, its systematic name is called (6-Pyrrolidin-1-ylpyridin-3-yl)methanol.Physical properties about 3-Pyridinemethanol,6-(1-pyrrolidinyl)- are: (1)ACD/LogP: 0.32; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.36; (8)ACD/KOC (pH 7.4): 34.62; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.36 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 51 cm3; (15)Molar Volume: 151 cm3; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 181.8 °C; (19)Enthalpy of Vaporization: 65.91 kJ/mol; (20)Boiling Point: 377 °C at 760 mmHg; (21)Vapour Pressure: 2.35E-06 mmHg at 25 °C; (22)Melting Point: 61 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(ccc1N2CCCC2)CO
(2) InChI: InChI=1/C10H14N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6,8H2
(3) InChIKey: RQBADLNZUDDIRG-UHFFFAOYAO