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

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Name

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

EINECS N/A
CAS No. 54998-08-2 Density 1.163 g/cm3
PSA 58.52000 LogP 1.76810
Solubility N/A 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 N/A Appearance N/A
Safety 26-36/37/39-24/25 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 54998-08-2 (4-(4-Methylpiperazino)-1,2-benzenediamine) Hazard Symbols N/A
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;

Article Data 53

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

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