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2-(4-Benzylpiperazin-1-yl)ethanamine

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Name

2-(4-Benzylpiperazin-1-yl)ethanamine

EINECS N/A
CAS No. 4553-21-3 Density 1.053 g/cm3
PSA 32.50000 LogP 1.33900
Solubility N/A Melting Point 247℃
Formula C13H21N3 Boiling Point 335.6 °C at 760 mmHg
Molecular Weight 219.33 Flash Point 154.6 °C
Transport Information N/A Appearance liquid
Safety 26-36/37/39-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4553-21-3 (1-(2-AMINOETHYL)-4-BENZYLPIPERAZINE) Hazard Symbols IrritantXi
Synonyms

Piperazine,1-(2-aminoethyl)-4-benzyl- (7CI,8CI);1-(2-Aminoethyl)-4-benzylpiperazine;2-(4-Benzylpiperazin-1-yl)ethylamine;

Article Data 21

2-(4-Benzylpiperazin-1-yl)ethanamine Specification

This chemical is called 2-(4-Benzylpiperazin-1-yl)ethanamine, and it can also be named as 1-Piperazineethanamine, 4-(phenylmethyl)-. With the molecular formula of C13H21N3, its CAS registry number is 4553-21-3. Additionally, its product categories are Piperaizine; Piperazines. It should be sealed in the cool and dry place, away from light.

Other characteristics of the 2-(4-Benzylpiperazin-1-yl)ethanamine can be summarised as followings: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -2.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 67.6 cm3; (15)Molar Volume: 208.1 cm3; (16)Polarizability: 26.8×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 154.6 °C; (20)Enthalpy of Vaporization: 57.87 kJ/mol; (21)Boiling Point: 335.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000118 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: NCCN1CCN(CC1)Cc2ccccc2
2.InChI: InChI=1/C13H21N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12,14H2
3.InChIKey: CXEJMFLWEVKOGS-UHFFFAOYAA

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