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Butanamide,N-1H-indazol-5-yl-3-oxo-

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Name

Butanamide,N-1H-indazol-5-yl-3-oxo-

EINECS N/A
CAS No. 6023-70-7 Density 1.372 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C11H11N3O2 Boiling Point 530.3 °C at 760 mmHg
Molecular Weight 217.227 Flash Point 274.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6023-70-7 ((2E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-yl)phenyl]prop-2-enamide) Hazard Symbols N/A
Synonyms

Acetoacetamide,N-1H-indazol-5-yl- (7CI,8CI);N-(1H-Indazol-5-yl)-3-oxobutanamide;

Article Data 8

Butanamide,N-1H-indazol-5-yl-3-oxo- Specification

The Butanamide,N-1H-indazol-5-yl-3-oxo-, with the CAS registry number 6023-70-7, is also known as Acetoacetamide,N-1H-indazol-5-yl- (7CI,8CI). This chemical's molecular formula is C11H11N3O2 and molecular weight is 217.2239. What's more, both its IUPAC name and systematic name are the same which is called N-1H-Indazol-5-yl-3-oxobutanamide.

Physical properties about Butanamide,N-1H-indazol-5-yl-3-oxo- are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.29; (6)ACD/BCF (pH 7.4): 1.29; (7)ACD/KOC (pH 5.5): 41.86; (8)ACD/KOC (pH 7.4): 41.75; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.2 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 60.18 cm3; (15)Molar Volume: 158.3 cm3; (16)Polarizability: 23.86×10-24 cm3; (17)Surface Tension: 67.1 dyne/cm; (18)Density: 1.372 g/cm3; (19)Flash Point: 274.5 °C; (20)Enthalpy of Vaporization: 80.55 kJ/mol; (21)Boiling Point: 530.3 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)CC(=O)Nc1cc2c(cc1)nnc2
(2) InChI: InChI=1/C11H11N3O2/c1-7(15)4-11(16)13-9-2-3-10-8(5-9)6-12-14-10/h2-3,5-6H,4H2,1H3,(H,12,14)(H,13,16)
(3) InChIKey: FWWRJJWNAJGJBQ-UHFFFAOYAJ

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