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| CAS No.: | 180605-36-1 |
|---|---|
| Name: | 2-(4-Methylpiperazin-1-yl)aniline |
| Article Data: | 10 |
| Molecular Structure: | |
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|
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| Formula: | C11H17N3 |
| Molecular Weight: | 191.276 |
| Synonyms: | 2-(4-Methyl-1-piperazinyl)aniline;NSC 145003;2-(4-methylpiperazin-1-yl)aniline;Benzenamine, 2-(4-methyl-1-piperazinyl)-;2-(4-Methyl-piperazin-1-yl)-phenylamine; |
| Density: | 1.092 g/cm3 |
| Melting Point: | 101 °C |
| Boiling Point: | 321.2 °C at 760 mmHg |
| Flash Point: | 146.1 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 20/21/22-34 |
| Safety: | 22-26-36/37/39-45 |
| PSA: | 32.50000 |
| LogP: | 1.60470 |
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Specification
The Benzenamine,2-(4-methyl-1-piperazinyl)-, with the CAS registry number 180605-36-1, has the systematic name of 2-(4-methylpiperazin-1-yl)aniline. It belongs to the following product categories: Piperidine; Piperazidine intermediates; Piperazines. And the molecular formula of the chemical is C11H17N3.
The characteristics of Benzenamine,2-(4-methyl-1-piperazinyl)- are as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.72 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 58.96 cm3; (9)Molar Volume: 175 cm3; (10)Polarizability: 23.37×10-24cm3; (11)Surface Tension: 45.6 dyne/cm; (12)Density: 1.092 g/cm3; (13)Flash Point: 146.1 °C; (14)Enthalpy of Vaporization: 56.3 kJ/mol; (15)Boiling Point: 321.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000302 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and it may cause burns. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c2(c(N1CCN(C)CC1)cccc2)N
(2)InChI: InChI=1/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
(3)InChIKey: INWHDRNGZMHXEZ-UHFFFAOYAM