Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenamine,4-[[4-(phenylmethyl)-1-piperazinyl]methyl]- |
EINECS | N/A |
CAS No. | 422517-70-2 | Density | 1.137 g/cm3 |
PSA | 32.50000 | LogP | 3.04360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H23N3 | Boiling Point | 429.2 °C at 760 mmHg |
Molecular Weight | 281.4 | Flash Point | 210 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-{[4-benzylpiperazinyl]methyl}phenylamine; |
Article Data | 1 |
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