Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)- supplier

Name
Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)-
EINECS
CAS No. 482308-11-2
Article Data4
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁N₃O₂
Boiling Point 598.5 °C at 760 mmHg
Molecular Weight 217.2239
Flash Point 315.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)-
PSA 79.35000
LogP 1.14988

Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)- Specification

The CAS registry number of Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)- is 482308-11-2. This chemical's molecular formula is C₁₁H₁₁N₃O₂ and molecular weight is 217.2239. What's more, its systematic name is called 5-Amino-2-(3-oxomorpholin-4-yl)benzonitrile.

Physical properties Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)- about are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.15; (5)ACD/KOC (pH 7.4): 12.2; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 79.35 Å²; (10)Index of Refraction: 1.632; (11)Molar Refractivity: 57.15 cm³; (12)Molar Volume: 160 cm³; (13)Polarizability: 22.65×10^-24 cm³; (14)Surface Tension: 69.2 dyne/cm; (15)Density: 1.35 g/cm³; (16)Flash Point: 315.7 °C; (17)Enthalpy of Vaporization: 89.12 kJ/mol; (18)Boiling Point: 598.5 °C at 760 mmHg; (19)Vapour Pressure: 2.77E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(C#N)c(cc1)N2CCOCC2=O
(2) InChI: InChI=1/C11H11N3O2/c12-6-8-5-9(13)1-2-10(8)14-3-4-16-7-11(14)15/h1-2,5H,3-4,7,13H2
(3) InChIKey: UWVQVSGACKTALD-UHFFFAOYAS

Product Name

Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)-

Benzonitrile, 5-amino-2-(3-oxo-4-morpholinyl)- Specification

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