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CAS No.: | 5345-70-0 |
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Name: | 2-bromo-N-heptylpropanamide |
Molecular Structure: | |
Formula: | C10H20BrNO |
Molecular Weight: | 250.179 |
Synonyms: | NSC 1724; |
Density: | 1.174g/cm3 |
Boiling Point: | 334.3 °C at 760 mmHg |
Flash Point: | 156 °C |
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The Propanamide,2-bromo-N-heptyl-, with CAS registry number 5345-70-0, has the systematic name of 2-bromo-N-heptylpropanamide. Besides this, it is also called NSC 1724. And the chemical formula of this chemical is C10H20BrNO. Its molecular weight is 250.1759.
Physical properties of Propanamide,2-bromo-N-heptyl-: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.472; (8)Molar Refractivity: 59.69 cm3; (9)Molar Volume: 213 cm3; (10)Polarizability: 23.66×10-24cm3; (11)Surface Tension: 33.4 dyne/cm; (12)Density: 1.174 g/cm3; (13)Flash Point: 156 °C; (14)Enthalpy of Vaporization: 57.73 kJ/mol; (15)Boiling Point: 334.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)NCCCCCCC)C
(2)InChI: InChI=1/C10H20BrNO/c1-3-4-5-6-7-8-12-10(13)9(2)11/h9H,3-8H2,1-2H3,(H,12,13)
(3)InChIKey: ZNRBXSFOAIZGBY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H20BrNO/c1-3-4-5-6-7-8-12-10(13)9(2)11/h9H,3-8H2,1-2H3,(H,12,13)
(5)Std. InChIKey: ZNRBXSFOAIZGBY-UHFFFAOYSA-N