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

Name
(2E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-yl)phenyl]prop-2-enamide
EINECS
CAS No. 6023-70-7
Article Data8
CAS DataBase
Density 1.372 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁N₃O₂
Boiling Point 530.3 °C at 760 mmHg
Molecular Weight 217.227
Flash Point 274.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoacetamide,N-1H-indazol-5-yl- (7CI,8CI);N-(1H-Indazol-5-yl)-3-oxobutanamide;
PSA
LogP

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^-24cm³; (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

Product Name

(2E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-yl)phenyl]prop-2-enamide

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

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