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28490-66-6

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Basic Information
CAS No.: 28490-66-6
Name: 4-(PYRROLIDIN-3-YLOXY)BENZAMIDE
Molecular Structure:
Molecular Structure of 28490-66-6 (4-(PYRROLIDIN-3-YLOXY)BENZAMIDE)
Formula: C11H14N2O2
Molecular Weight: 206.24
Synonyms: Benzamide,p-(3-pyrrolidinyloxy)- (8CI);
Density: 1.193 g/cm3
Boiling Point: 391.691 °C at 760 mmHg
Flash Point: 190.688 °C
PSA: 64.35000
LogP: 1.55530
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Specification

The 4-(Pyrrolidin-3-yloxy)benzamide, with cas registry number 28490-66-6, has the systematic name of 4-pyrrolidin-3-yloxybenzamide. And it is also called Benzamide, 4-(3-pyrrolidinyloxy)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.47; (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: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 64.35 Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 57.021 cm3; (13)Molar Volume: 172.936 cm3; (14)Polarizability: 22.605×10-24cm3; (15)Surface Tension: 49.439 dyne/cm; (16)Enthalpy of Vaporization: 64.133 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc(ccc1C(=O)N)OC2CCNC2
(2)InChI: InChI=1/C11H14N2O2/c12-11(14)8-1-3-9(4-2-8)15-10-5-6-13-7-10/h1-4,10,13H,5-7H2,(H2,12,14)
(3)InChIKey: ZFDHPSTXSHGLLQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H14N2O2/c12-11(14)8-1-3-9(4-2-8)15-10-5-6-13-7-10/h1-4,10,13H,5-7H2,(H2,12,14)
(5)Std. InChIKey: ZFDHPSTXSHGLLQ-UHFFFAOYSA-N