Benzenamine, 3-(2-methyl-4-pyrimidinyl)- supplier

Name
4-(3-AMINOPHENYL)-2-METHYLPYRIMIDINE
EINECS 259-660-5
CAS No. 175201-90-8
Density 1.159 g/cm³
Solubility
Melting Point 108 °C
Formula C₁₁H₁₁N₃
Boiling Point 375.205 °C at 760 mmHg
Molecular Weight 185.23
Flash Point 208.622 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 51.80000
LogP 2.61540

Benzenamine, 3-(2-methyl-4-pyrimidinyl)- 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

Product Name

4-(3-AMINOPHENYL)-2-METHYLPYRIMIDINE

Benzenamine, 3-(2-methyl-4-pyrimidinyl)- Specification

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