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CAS No.: | 6120-96-3 |
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Name: | Cyclopropanecarboxamide, 1-phenyl- (7CI,8CI,9CI) |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H11NO |
Molecular Weight: | 161.203 |
Synonyms: | 1-Phenylcyclopropanecarboxamide;NSC 157875; |
Density: | 1.2 g/cm3 |
Boiling Point: | 350.2 °C at 760 mmHg |
Flash Point: | 165.6 °C |
PSA: | 43.09000 |
LogP: | 1.90380 |
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The Cyclopropanecarboxamide,1-phenyl-, with the CAS registry number 6120-96-3, is also known as 1-Phenylcyclopropanecarboxamide. It belongs to the product category of Amide. This chemical's molecular formula is C10H11NO and molecular weight is 161.2004. What's more, its IUPAC name is 1-Phenylcyclopropane-1-carboxamide.
Physical properties about Cyclopropanecarboxamide,1-phenyl- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 57.19; (8)ACD/KOC (pH 7.4): 57.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 46.29 cm3; (15)Molar Volume: 134.2 cm3; (16)Polarizability: 18.35×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 165.6 °C; (20)Enthalpy of Vaporization: 59.47 kJ/mol; (21)Boiling Point: 350.2 °C at 760 mmHg; (22)Vapour Pressure: 4.48E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)C2(c1ccccc1)CC2
(2) InChI: InChI=1/C10H11NO/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)
(3) InChIKey: GCBXAQLZTBLSGE-UHFFFAOYAI