Benzenamine,4-[[4-(phenylmethyl)-1-piperazinyl]methyl]- supplier

Name
4-(4-BENZYLPIPERAZIN-1-YLMETHYL)PHENYLAMINE
EINECS
CAS No. 422517-70-2
Article Data1
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₃N₃
Boiling Point 429.2 °C at 760 mmHg
Molecular Weight 281.4
Flash Point 210 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-{[4-benzylpiperazinyl]methyl}phenylamine;
PSA 32.50000
LogP 3.04360

Benzenamine,4-[[4-(phenylmethyl)-1-piperazinyl]methyl]- Specification

The Benzenamine,4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-, with the CAS registry number 422517-70-2, is also known as 4-{[4-Benzylpiperazinyl]methyl}phenylamine. This chemical's molecular formula is C₁₈H₂₃N₃ and molecular weight is 281.3953. Its systematic name is called 4-[(4-benzylpiperazin-1-yl)methyl]aniline.

Physical properties of Benzenamine,4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 7.4): 1.05; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 3.47; (5)ACD/KOC (pH 5.5): 3.84; (6)ACD/KOC (pH 7.4): 78.43; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.63; (11)Molar Refractivity: 88.14 cm³; (12)Molar Volume: 247.4 cm³; (13)Surface Tension: 53.4 dyne/cm; (14)Density: 1.137 g/cm³; (15)Flash Point: 210 °C; (16)Enthalpy of Vaporization: 68.45 kJ/mol; (17)Boiling Point: 429.2 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(cc1)CN2CCN(CC2)Cc3ccccc3
(2)InChI: InChI=1/C18H23N3/c19-18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15,19H2
(3)InChIKey: NQGOTIAYUKPHTA-UHFFFAOYAY

Product Name

4-(4-BENZYLPIPERAZIN-1-YLMETHYL)PHENYLAMINE

Benzenamine,4-[[4-(phenylmethyl)-1-piperazinyl]methyl]- Specification

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