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16089-43-3

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Basic Information
CAS No.: 16089-43-3
Name: 3-Methyl-4-(pyrrolidin-1-yl)aniline
Molecular Structure:
Molecular Structure of 16089-43-3 (3-Methyl-4-(pyrrolidin-1-yl)aniline)
Formula: C11H16N2
Molecular Weight: 176.26
Synonyms: Pyrrolidine,1-(4-amino-o-tolyl)- (8CI);N-(p-Amino-o-methylphenyl)pyrrolidine;
EINECS: 240-243-1
Density: 1.085 g/cm3
Boiling Point: 338.978 °C at 760 mmHg
Flash Point: 137.567 °C
PSA: 29.26000
LogP: 2.82360
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Specification

The cas register number of 3-Methyl-4-(pyrrolidin-1-yl)aniline is 16089-43-3. It also can be called as N-(4-Amino-2-methylphenyl)pyrrolidine and the Systematic name about this chemical is 3-methyl-4-pyrrolidin-1-ylaniline.

Physical properties about 3-Methyl-4-(pyrrolidin-1-yl)aniline are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8.62; (7)ACD/KOC (pH 5.5): 18.1; (8)ACD/KOC (pH 7.4): 157.83; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 55.51 cm3; (15)Molar Volume: 162.5 cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.084 g/cm3; (18)Flash Point: 137.6 °C; (19)Enthalpy of Vaporization: 58.24 kJ/mol; (20)Boiling Point: 339 °C at 760 mmHg; (21)Vapour Pressure: 9.48E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1(cc(c(cc1)N2CCCC2)C)N
2.InChI:InChI=1/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3 
3.InChIKey:HXGBHCCAZHQXQV-UHFFFAOYAP
4.Std. InChI:InChI=1S/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3