Benzenamine,2-[4-(phenylmethyl)-1-piperazinyl]- supplier

Name
2-(4-Benzyl-piperazin-1-yl)aniline
EINECS
CAS No. 199105-17-4
Article Data3
CAS DataBase
Density 1.145 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₁N₃
Boiling Point 420.9 °C at 760 mmHg
Molecular Weight 267.374
Flash Point 205.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Aminophenyl)-4-benzylpiperazine;2-(4-Benzylpiperazin-1-yl)phenylamine;
PSA 32.50000
LogP 3.17510

Benzenamine,2-[4-(phenylmethyl)-1-piperazinyl]- Specification

The Benzenamine,2-[4-(phenylmethyl)-1-piperazinyl]-, with the CAS registry number 199105-17-4, is also known as 1-(2-Aminophenyl)-4-benzylpiperazine. This chemical's molecular formula is C₁₇H₂₁N₃ and molecular weight is 267.37. What's more, its systematic name is 2-(4-benzylpiperazin-1-yl)aniline.

Physical properties of Benzenamine,2-[4-(phenylmethyl)-1-piperazinyl]- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 1.12; (8)ACD/KOC (pH 7.4): 16.06; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.72 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 83.42 cm³; (15)Molar Volume: 233.3 cm³; (16)Polarizability: 33.07×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.145 g/cm³; (19)Flash Point: 205.1 °C; (20)Enthalpy of Vaporization: 67.48 kJ/mol; (21)Boiling Point: 420.9 °C at 760 mmHg; (22)Vapour Pressure: 2.72E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)CN3CCN(c2ccccc2N)CC3
(2)InChI: InChI=1S/C17H21N3/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14,18H2
(3)InChIKey: KGTKQCBBMYJSFD-UHFFFAOYSA-N

Product Name

2-(4-Benzyl-piperazin-1-yl)aniline

Benzenamine,2-[4-(phenylmethyl)-1-piperazinyl]- Specification

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