Methanone,[4-(2-aminoethyl)-1-piperazinyl]phenyl- supplier

Name
1-Benzoyl-4-(2-aminoethyl)piperazine
EINECS
CAS No. 123469-39-6
Density 1.128 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₉N₃O
Boiling Point 392.461 °C at 760 mmHg
Molecular Weight 233.313
Flash Point 191.154 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperazineethanamine,4-benzoyl- (9CI);[4-(2-Aminoethyl)piperazin-1-yl]-phenylmethanone;
PSA 49.57000
LogP 0.97920

Methanone,[4-(2-aminoethyl)-1-piperazinyl]phenyl- Specification

The CAS registry number of Methanone,[4-(2-aminoethyl)-1-piperazinyl]phenyl- is 123469-39-6. The IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-phenylmethanone. In addition, the molecular formula is C₁₃H₁₉N₃O and the molecular weight is 233.31. It is also called 1-Benzoyl-4-(2-aminoethyl)piperazine. What's more, it should be stored in a cool and dry place.

Physical properties about Methanone,[4-(2-aminoethyl)-1-piperazinyl]phenyl- are: (1)ACD/LogP: 0.92; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 49.57 Å²; (10)Index of Refraction: 1.572; (11)Molar Refractivity: 68.087 cm³; (12)Molar Volume: 206.843 cm³; (13)Polarizability: 26.992 ×10^-24cm³; (14)Surface Tension: 47.208 dyne/cm; (15)Density: 1.128 g/cm³; (16)Flash Point: 191.154 °C; (17)Enthalpy of Vaporization: 64.221 kJ/mol; (18)Boiling Point: 392.461 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(=O)N2CCN(CC2)CCN
(2)InChI: InChI=1/C13H19N3O/c14-6-7-15-8-10-16(11-9-15)13(17)12-4-2-1-3-5-12/h1-5H,6-11,14H2
(3)InChIKey: ZYCRXUALSHZBFA-UHFFFAOYAZ

Product Name

1-Benzoyl-4-(2-aminoethyl)piperazine

Methanone,[4-(2-aminoethyl)-1-piperazinyl]phenyl- Specification

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