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21312-41-4

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Basic Information
CAS No.: 21312-41-4
Name: (4-AMINO-PHENYL)-(4-ETHYL-PIPERAZIN-1-YL)-METHANONE
Article Data: 1
Molecular Structure:
Molecular Structure of 21312-41-4 ((4-AMINO-PHENYL)-(4-ETHYL-PIPERAZIN-1-YL)-METHANONE)
Formula: C13H19N3O
Molecular Weight: 233.31
Synonyms: (4-Aminophenyl)(4-ethylpiperazin-1-yl)methanone;Piperazine,1-(4-aminobenzoyl)-4-ethyl- (9CI);Piperazine,1-(p-aminobenzoyl)-4-ethyl-(8CI);
Boiling Point: 417.6 °C at 760 mmHg
Flash Point: 206.4 °C
PSA: 49.57000
LogP: 1.50350
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Specification

The CAS registry number of Methanone,(4-aminophenyl)(4-ethyl-1-piperazinyl)- is 21312-41-4. The IUPAC name is (4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone. In addition, the molecular formula is C13H19N3O and the molecular weight is 233.31. It should be stored in a cool and dry place.

Physical properties about Methanone,(4-aminophenyl)(4-ethyl-1-piperazinyl)- are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 23.55 Å2; (7)Flash Point: 206.4 °C; (8)Enthalpy of Vaporization: 67.1 kJ/mol; (9)Boiling Point: 417.6 °C at 760 mmHg; (10)Vapour Pressure: 3.49E-07 mmHg at 25°C; (11)Tautomer Count: 3; (12)Exact Mass: 233.152812; (13)MonoIsotopic Mass: 233.152812; (14)Topological Polar Surface Area: 49.6; (15)Heavy Atom Count: 17; (16)Complexity: 253; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(N)cc1)N2CC[NH+](CC)CC2
(2)InChI: InChI=1/C13H19N3O/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11/h3-6H,2,7-10,14H2,1H3/p+1
(3)InChIKey: NSBYIXFHERKEPP-IKLDFBCSAF