4-[(4-Methylpiperazin-1-yl)methyl]aniline supplier

Name
4-[(4-Methylpiperazin-1-yl)methyl]aniline
EINECS 200-158-5
CAS No. 70261-82-4
Article Data24
CAS DataBase
Density 1.085 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₉N₃
Boiling Point 331.2 °C at 760 mmHg
Molecular Weight 205.303
Flash Point 152 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Aminobenzyl)-4-methylpiperazine;4-[(4-Methyl-1-piperazinyl)methyl]benzenamine;4-[(4-Methyl-1-piperazinyl)methyl]benzeneamine;4-[(4-Methylpiperazin-1-yl)methyl]aniline;4-[(4-Methylpiperazin-1-yl)methyl]phenylamine;4-((4-methylpiperazin-1-yl)methyl)aniline;4-(4-Methylpiperazin-1-ylmethyl)phenylamine;
PSA 32.50000
LogP 1.47320

4-[(4-Methylpiperazin-1-yl)methyl]aniline Specification

The 4-[(4-Methylpiperazin-1-yl)methyl]aniline with the cas number 70261-82-4 is also called Benzenamine,4-[(4-methyl-1-piperazinyl)methyl]-. Its molecular formula is C₁₂H₁₉N₃. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.81; (4)ACD/LogD (pH 7.4): -1.05; (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): 3.09; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.72 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 63.69 cm³; (15)Molar Volume: 189.1 cm³; (16)Polarizability: 25.24×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Enthalpy of Vaporization: 57.39 kJ/mol; (19)Vapour Pressure: 0.000158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc(N)c1)CN2CCN(CC2)C
(2)InChI: InChI=1/C12H19N3/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10,13H2,1H3
(3)InChIKey: NIXCVBFXLJWUTC-UHFFFAOYAO

Product Name

4-[(4-Methylpiperazin-1-yl)methyl]aniline

4-[(4-Methylpiperazin-1-yl)methyl]aniline Specification

Related Products

Hot Products