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CAS No.: | 352018-91-8 |
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Name: | 1-(4-Cyanophenyl)-4-piperidinecarbohydrazide |
Molecular Structure: | |
Formula: | C13H16N4O |
Molecular Weight: | 244.29 |
Synonyms: | 1-(4-Cyanophenyl)piperidine-4-carbohydrazide;4-Piperidinecarboxylic acid, 1-(4-cyanophenyl)-, hydrazide; |
Density: | 1.251 g/cm3 |
Boiling Point: | 528.975 °C at 760 mmHg |
Flash Point: | 273.715 °C |
Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
PSA: | 82.15000 |
LogP: | 1.92078 |
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The 1-(4-Cyanophenyl)-4-piperidinecarbohydrazide, with the CAS registry number 352018-91-8, is also known as 4-Piperidinecarboxylic acid, 1-(4-cyanophenyl)-, hydrazide. This chemical's molecular formula is C13H16N4O and molecular weight is 244.29. What's more, its systematic name is 1-(4-cyanophenyl)piperidine-4-carbohydrazide.
Physical properties of 1-(4-Cyanophenyl)-4-piperidinecarbohydrazide are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.251; (4)ACD/LogD (pH 7.4): 0.253; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 32.558; (7)ACD/KOC (pH 7.4): 32.694; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 82.15 Å2; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 68.31 cm3; (14)Molar Volume: 195.233 cm3; (15)Surface Tension: 62.826 dyne/cm; (16)Density: 1.251 g/cm3; (17)Flash Point: 273.715 °C; (18)Enthalpy of Vaporization: 80.391 kJ/mol; (19)Boiling Point: 528.975 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1C(=O)NN)C2=CC=C(C=C2)C#N
(2)InChI: InChI=1S/C13H16N4O/c14-9-10-1-3-12(4-2-10)17-7-5-11(6-8-17)13(18)16-15/h1-4,11H,5-8,15H2,(H,16,18)
(3)InChIKey: RGOGBQRLKKDOHU-UHFFFAOYSA-N