4-(4-Methylpiperazino)-1,2-benzenediamine supplier

Name
4-(4-Methylpiperazino)-1,2-benzenediamine
EINECS
CAS No. 54998-08-2
Article Data53
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point 118-120°C
Formula C₁₁H₁₈N₄
Boiling Point 419.7 °C at 760 mmHg
Molecular Weight 206.291
Flash Point 258.7 °C
Transport Information
Appearance
Safety 26-36/37/39-24/25
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-5-(4-methyl-1-piperazinyl)aniline;4-(4-Methyl-1-piperazinyl)-2-aminoaniline;4-(4-Methyl-1-piperazinyl)-o-phenylenediamine;4-(4-Methylpiperazin-1-yl)-1,2-benzenediamine;4-(4-Methylpiperazino)-1,2-benzenediamine;4-(4-Methylpiperazino)-1,2-diaminobenzene;5-(4-Methylpiperazin-1-yl)-1,2-diaminobenzene;
PSA 58.52000
LogP 1.76810

4-(4-Methylpiperazino)-1,2-benzenediamine Specification

The 4-(4-Methylpiperazino)-1,2-benzenediamine with cas registry number of 54998-08-2, has the systematic name of 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine. And it is also called 1,2-benzenediamine, 4-(4-methyl-1-piperazinyl)-.

Physical properties about this chemical are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.23; (4)ACD/LogD (pH 7.4): -1.26; (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; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.96 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 63.2 cm³; (15)Molar Volume: 177.3 cm³; (16)Polarizability: 25.05×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Enthalpy of Vaporization: 67.35 kJ/mol; (19)Vapour Pressure: 2.97E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-(4-Methylpiperazino)-1,2-benzenediamine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, it is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: c2c(N1CCN(C)CC1)ccc(N)c2N
(2)InChI: InChI=1/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
(3)InChIKey: RTDKAEOVZXYWJW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
(5)Std. InChIKey: RTDKAEOVZXYWJW-UHFFFAOYSA-N

Product Name

4-(4-Methylpiperazino)-1,2-benzenediamine

4-(4-Methylpiperazino)-1,2-benzenediamine Specification

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