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31642-90-7

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Basic Information
CAS No.: 31642-90-7
Name: 3-AMINO-4-MORPHOLIN-4-YL-BENZAMIDE
Molecular Structure:
Molecular Structure of 31642-90-7 (3-AMINO-4-MORPHOLIN-4-YL-BENZAMIDE)
Formula: C11H15N3O2
Molecular Weight: 221.259
Synonyms: Benzamide,3-amino-4-morpholino- (8CI);
Density: 1.273 g/cm3
Boiling Point: 433.7 °C at 760 mmHg
Flash Point: 216.1 °C
Hazard Symbols: IrritantXi
PSA: 81.58000
LogP: 1.55080
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Specification

The CAS registry number of Benzamide,3-amino-4-(4-morpholinyl)- is 31642-90-7. This chemical's molecular formula is C11H15N3O2 and molecular weight is 221.26. What's more, both its IUPAC name and systematic name are the same which is called 3-Amino-4-(morpholin-4-yl)benzamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzamide,3-amino-4-(4-morpholinyl)- are: (1)ACD/LogP: -0.24; (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): 4.89; (6)ACD/KOC (pH 7.4): 17.09; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 36.02 Å2; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 61.22 cm3; (13)Molar Volume: 173.7 cm3; (14)Polarizability: 24.27×10-24 cm3; (15)Surface Tension: 59.3 dyne/cm; (16)Density: 1.273 g/cm3; (17)Flash Point: 216.1 °C; (18)Enthalpy of Vaporization: 68.97 kJ/mol; (19)Boiling Point: 433.7 °C at 760 mmHg; (20)Vapour Pressure: 1.01E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c2cc(c(N1CCOCC1)cc2)N
(2)InChI: InChI=1/C11H15N3O2/c12-9-7-8(11(13)15)1-2-10(9)14-3-5-16-6-4-14/h1-2,7H,3-6,12H2,(H2,13,15)
(3)InChIKey: BOLXEIOHNIMMPK-UHFFFAOYAV