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Benzamide,4-[[1-(phenylmethyl)-3-pyrrolidinyl]oxy]- (28506-17-4)

Identification
Name:Benzamide,4-[[1-(phenylmethyl)-3-pyrrolidinyl]oxy]-
Synonyms:Benzamide,p-[(1-benzyl-3-pyrrolidinyl)oxy]- (8CI)
CAS:28506-17-4
Molecular Formula: C18H20 N2 O2
Molecular Weight: 0
InChI: InChI=1/C18H20N2O2/c19-18(21)15-6-8-16(9-7-15)22-17-10-11-20(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H2,19,21)
Molecular Structure: (C18H20N2O2) Benzamide,p-[(1-benzyl-3-pyrrolidinyl)oxy]- (8CI)
Properties
Flash Point: 235.755°C
Boiling Point: 466.208°C at 760 mmHg
Density:1.203g/cm3
Refractive index:1.619
Specification:

The 4-(1-Benzylpyrrolidin-3-yloxy)benzamide, with cas registry number 28506-17-4, has the systematic name of 4-(1-benzylpyrrolidin-3-yl)oxybenzamide.

Physical properties about this chemical are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.316; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.927; (6)ACD/KOC (pH 5.5): 1.124; (7)ACD/KOC (pH 7.4): 57.289; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.56 Å2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 86.406 cm3; (14)Molar Volume: 246.267 cm3; (15)Polarizability: 34.254×10-24cm3; (16)Surface Tension: 53.533 dyne/cm; (17)Enthalpy of Vaporization: 72.796 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2CCC(C2)Oc3ccc(cc3)C(=O)N
(2)InChI: InChI=1/C18H20N2O2/c19-18(21)15-6-8-16(9-7-15)22-17-10-11-20(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H2,19,21)
(3)InChIKey: KLHHCQNXFYICOB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C18H20N2O2/c19-18(21)15-6-8-16(9-7-15)22-17-10-11-20(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H2,19,21)
(5)Std. InChIKey: KLHHCQNXFYICOB-UHFFFAOYSA-N

Flash Point: 235.755°C
Safety Data
 

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