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175201-90-8

Basic Information
CAS No.: 175201-90-8
Name: 4-(3-AMINOPHENYL)-2-METHYLPYRIMIDINE
Molecular Structure:
Molecular Structure of 175201-90-8 (4-(3-AMINOPHENYL)-2-METHYLPYRIMIDINE)
Formula: C11H11N3
Molecular Weight: 185.23
Synonyms: (3-(2-Methylpyrimidin-4-yl)phenyl)amine;3-(2-Methyl-4-pyrimidinyl)aniline;3-(2-Methylpyrimidin-4-yl)aniline;4-(3-Aminophenyl)-2-methylpyrimidine;
EINECS: 259-660-5
Density: 1.159 g/cm3
Melting Point: 108 °C
Boiling Point: 375.205 °C at 760 mmHg
Flash Point: 208.622 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 51.80000
LogP: 2.61540
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  • 3-(2-Methylpyrimidin-4-Yl)Benzenamine  CAS NO.175201-90-8

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Specification

This chemical is called Benzenamine, 3-(2-methyl-4-pyrimidinyl)-, and its IUPAC name is 3-(2-methylpyrimidin-4-yl)aniline. With the molecular formula of C11H11N3, its molecular weight is 185.23. The CAS registry number of this chemical is 175201-90-8. Additionally, its product category is Quinazoline.   

Other characteristics of the Benzenamine, 3-(2-methyl-4-pyrimidinyl)- can be summarised as followings: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.396; (5)ACD/BCF (pH 5.5): 6.682; (6)ACD/BCF (pH 7.4): 6.781; (7)ACD/KOC (pH 5.5): 134.982; (8)ACD/KOC (pH 7.4): 136.969; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 56.088 cm3; (15)Molar Volume: 159.721 cm3; (16)Polarizability: 22.235×10-24cm3; (17)Surface Tension: 53.718 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 208.622 °C; (20)Enthalpy of Vaporization: 62.269 kJ/mol; (21)Boiling Point: 375.205 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Cc1nccc(n1)c2cccc(c2)N
2.InChI: InChI=1/C11H11N3/c1-8-13-6-5-11(14-8)9-3-2-4-10(12)7-9/h2-7H,12H2,1H3
3.InChIKey: DMWKPJRZFGLSAX-UHFFFAOYAJ