Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(4-Carbamoylphenylcarbamoyl)piperidine |
EINECS | N/A |
CAS No. | 609780-49-6 | Density | 1.237 g/cm3 |
PSA | 84.22000 | LogP | 1.82570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H17N3O2 | Boiling Point | 526.7 °C at 760 mmHg |
Molecular Weight | 247.297 | Flash Point | 272.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-CARBAMOYL-PHENYLCARBAMOYL)-PIPERIDINE;N-(4-carbamoylphenyl)piperidine-4-carboxamide; |
Article Data | 1 |
The 4-(4-Carbamoylphenylcarbamoyl)piperidine, with the CAS registry number 609780-49-6, has the systematic name of N-(4-carbamoylphenyl)piperidine-4-carboxamide. It belongs to the product category of Amide. And the molecular formula of the chemical is C13H17N3O2.
The characteristics of 4-(4-Carbamoylphenylcarbamoyl)piperidine are as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 84.22 Å2; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 69.09 cm3; (13)Molar Volume: 199.7 cm3; (14)Polarizability: 27.38×10-24cm3; (15)Surface Tension: 56.3 dyne/cm; (16)Density: 1.237 g/cm3; (17)Flash Point: 272.4 °C; (18)Enthalpy of Vaporization: 80.12 kJ/mol; (19)Boiling Point: 526.7 °C at 760 mmHg; (20)Vapour Pressure: 3.48E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)C(N)=O)C2CCNCC2
(2)InChI: InChI=1/C13H17N3O2/c14-12(17)9-1-3-11(4-2-9)16-13(18)10-5-7-15-8-6-10/h1-4,10,15H,5-8H2,(H2,14,17)(H,16,18)
(3)InChIKey: IJZROFXYVXWUFA-UHFFFAOYAB