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74180-14-6

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Basic Information
CAS No.: 74180-14-6
Name: 1-methylpiperidin-4-yl 2-aminobenzoate
Molecular Structure:
Molecular Structure of 74180-14-6 (1-methylpiperidin-4-yl 2-aminobenzoate)
Formula: C13H18N2O2
Molecular Weight: 234.29422
Synonyms: 4-Piperidinol,1-methyl-, 2-aminobenzoate (ester) (9CI);1-methylpiperidin-4-yl 2-aminobenzoate;(1-methylpiperidin-4-yl) 2-aminobenzoate;
EINECS: 277-747-6
Density: 1.17 g/cm3
Boiling Point: 354.3 °C at 760 mmHg
Flash Point: 168.1 °C
PSA: 55.56000
LogP: 2.03890
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Specification

The 4-Piperidinol,1-methyl-, 4-(2-aminobenzoate), with the CAS registry number 74180-14-6 and EINECS registry number 277-747-6, has the systematic name of 1-methylpiperidin-4-yl 2-aminobenzoate. It is also called (1-methylpiperidin-4-yl) 2-aminobenzoate. And the molecular formula of the chemical is C13H18N2O2.

The characteristics of 4-Piperidinol,1-methyl-, 4-(2-aminobenzoate) are as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.37; (7)ACD/KOC (pH 5.5): 1.48; (8)ACD/KOC (pH 7.4): 69.51; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 66.45 cm3; (15)Molar Volume: 200 cm3; (16)Polarizability: 26.34×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 168.1 °C; (20)Enthalpy of Vaporization: 59.93 kJ/mol; (21)Boiling Point: 354.3 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-05 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1CCN(C)CC1)c2ccccc2N
(2)InChI: InChI=1/C13H18N2O2/c1-15-8-6-10(7-9-15)17-13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3
(3)InChIKey: XLPQZGUNICBTCY-UHFFFAOYAQ