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91331-86-1

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Basic Information
CAS No.: 91331-86-1
Name: 1-(4-Methoxyphenyl)-3-methyl-1H-pyrazol-5-ylamine
Article Data: 5
Molecular Structure:
Molecular Structure of 91331-86-1 (1-(4-Methoxyphenyl)-3-methyl-1H-pyrazol-5-ylamine)
Formula: C11H13N3O
Molecular Weight: 203.244
Synonyms: Pyrazole,5-amino-1-(p-methoxyphenyl)-3-methyl- (7CI);5-Amino-1-(4-methoxyphenyl)-3-methylpyrazole;
Density: 1.19 g/cm3
Boiling Point: 369.3 °C at 760 mmHg
Flash Point: 177.1 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 53.07000
LogP: 2.35270
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Specification

This chemical is called 1-(4-Methoxyphenyl)-3-methyl-1H-pyrazol-5-ylamine, and it can also be named as 2-(4-Methoxy-phenyl)-5-methyl-2H-pyrazol-3-ylamine. With the molecular formula of C11H13N3O, its molecular weight is 203.24. The CAS registry number of this chemical is 91331-86-1. This chemical is irritant, please be careful when you use it.

Other characteristics of the 1-(4-Methoxyphenyl)-3-methyl-1H-pyrazol-5-ylamine can be summarised as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.03; (6)ACD/BCF (pH 7.4): 4.87; (7)ACD/KOC (pH 5.5): 89.31; (8)ACD/KOC (pH 7.4): 108.02; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 30.29 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 58.08 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 23.02×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 177.1 °C; (20)Enthalpy of Vaporization: 61.6 kJ/mol; (21)Boiling Point: 369.3 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O(c2ccc(n1nc(cc1N)C)cc2)C
2.InChI: InChI=1/C11H13N3O/c1-8-7-11(12)14(13-8)9-3-5-10(15-2)6-4-9/h3-7H,12H2,1-2H3
3.InChIKey: YQSZHCXCUDINAM-UHFFFAOYAK