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121193-17-7

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Basic Information
CAS No.: 121193-17-7
Name: Benzamide, 4-propyl- (9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 121193-17-7 (Benzamide, 4-propyl- (9CI))
Formula: C10H13NO
Molecular Weight: 163.219
Synonyms: Benzamide, 4-propyl- (9CI);
Density: 1.037 g/cm3
Boiling Point: 295.186 °C at 760 mmHg
Flash Point: 132.324 °C
PSA: 43.09000
LogP: 2.43830
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Specification

The 4-Propylbenzamide, with the CAS registry number 121193-17-7, is also known as Benzamide, 4-propyl- (9CI). It belongs to the product category of Amide. This chemical's molecular formula is C10H13NO and molecular weight is 163.22.

Physical properties of 4-Propylbenzamide are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 31; (6)ACD/BCF (pH 7.4): 31; (7)ACD/KOC (pH 5.5): 406; (8)ACD/KOC (pH 7.4): 406; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.09 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 49.365 cm3; (15)Molar Volume: 157.459 cm3; (16)Polarizability: 19.57×10-24 cm3; (17)Surface Tension: 40.855 dyne/cm; (18)Density: 1.037 g/cm3; (19)Flash Point: 132.324 °C; (20)Enthalpy of Vaporization: 53.488 kJ/mol; (21)Boiling Point: 295.186 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1ccc(cc1)C(N)=O
(2)InChI: InChI=1/C10H13NO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H2,11,12)
(3)InChIKey: LMRCNAHPCAQHJA-UHFFFAOYAG