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81261-93-0

Basic Information
CAS No.: 81261-93-0
Name: N-(4,6-DIMETHYLPYRIMIDIN-2-YL)BENZENE-1,4-DIAMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 81261-93-0 (N-(4,6-DIMETHYLPYRIMIDIN-2-YL)BENZENE-1,4-DIAMINE)
Formula: C12H14N4
Molecular Weight: 214.27
Synonyms: 1,4-Benzenediamine,N-(4,6-dimethyl-2-pyrimidinyl)- (9CI);N-(4-Aminophenyl)-4,6-dimethylpyrimidin-2-ylamine;
Density: 1.212 g/cm3
Melting Point: 192-195 ºC
Boiling Point: 429.9 °C at 760 mmHg
Flash Point: 213.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 63.83000
LogP: 3.07340
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Specification

The 1,4-Benzenediamine,N1-(4,6-dimethyl-2-pyrimidinyl)-, with the CAS registry number 81261-93-0, is also known as 2-[N-(4-Aminophenyl)amino]-4,6-dimethylpyrimidine and N-(4-Aminophenyl)-4,6-dimethyl-2-pyrimidinamine. This chemical's molecular formula is C12H14N4 and molecular weight is 214.27. What's more, its systematic name is N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine.

Physical properties about 1,4-Benzenediamine,N1-(4,6-dimethyl-2-pyrimidinyl)- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 3.61; (6)ACD/BCF (pH 7.4): 4.45; (7)ACD/KOC (pH 5.5): 82.22; (8)ACD/KOC (pH 7.4): 101.31; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 65.69 cm3; (15)Molar Volume: 176.7 cm3; (16)Polarizability: 26.04×10-24 cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 213.8 °C; (20)Enthalpy of Vaporization: 68.53 kJ/mol; (21)Boiling Point: 429.9 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. In addition, this chemical irritates to eyes, respiratory system and skin. During using it, 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.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(cc(nc1Nc2ccc(N)cc2)C)C
(2) InChI: InChI=1/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
(3) InChIKey: SFVBOQCTJBQABR-UHFFFAOYAX