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CAS No.: | 498548-11-1 |
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Name: | Pyridine, 3-(3-pyrrolidinyl)-, (+)- (9CI) |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H12N2 |
Molecular Weight: | 148.208 |
Synonyms: | Pyridine, 3-(3-pyrrolidinyl)-, (+)- (9CI) |
Density: | 1.043 g/cm3 |
Boiling Point: | 267.4 °C at 760 mmHg |
Flash Point: | 115.5 °C |
PSA: | 24.92000 |
LogP: | 1.48730 |
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The Pyridine,3-(3-pyrrolidinyl)-, (+)-, with the CAS registry number 498548-11-1, has the systematic name and IUPAC name of 3-pyrrolidin-3-ylpyridine. It belongs to the product category of Pyridine. And the molecular formula of the chemical is C9H12N2.
The characteristics of Pyridine,3-(3-pyrrolidinyl)-, (+)- are as followings: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 16.13 Å2; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 44.33 cm3; (13)Molar Volume: 142.1 cm3; (14)Polarizability: 17.57×10-24cm3; (15)Surface Tension: 41.3 dyne/cm; (16)Density: 1.042 g/cm3; (17)Flash Point: 115.5 °C; (18)Enthalpy of Vaporization: 50.54 kJ/mol; (19)Boiling Point: 267.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00818 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccc(c1)C2CCNC2
(2)InChI: InChI=1/C9H12N2/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-2,4,6,9,11H,3,5,7H2
(3)InChIKey: JNZDYUPZUHCHFK-UHFFFAOYAY