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5417-68-5

Basic Information
CAS No.: 5417-68-5
Name: 4-methyl-N-pentylaniline
Article Data: 7
Molecular Structure:
Molecular Structure of 5417-68-5 (4-methyl-N-pentylaniline)
Formula: C14H13N
Molecular Weight: 177.29
Synonyms: p-Toluidine,N-pentyl- (8CI);NSC 7953;4-Methyl-N-pentylaniline;Pentyl-p-tolyl-amine;
Density: 0.927 g/cm3
Boiling Point: 273.2 °C at 760 mmHg
Flash Point: 118.5 °C
PSA: 12.03000
LogP: 3.67010
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    4-methyl-N-pentylaniline CAS5417-68-5

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    4-methyl-N-pentylaniline

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Specification

The Benzenamine,4-methyl-N-pentyl-, with the CAS registry number 5417-68-5, is also known as Pentyl-p-tolyl-amine. This chemical's molecular formula is C14H13N and molecular weight is 177.29. What's more, its systematic name is 4-methyl-N-pentylaniline.

Physical properties of Benzenamine,4-methyl-N-pentyl- are: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.531; (8)Molar Refractivity: 59.21 cm3; (9)Molar Volume: 191.1 cm3; (10)Polarizability: 23.47×10-24cm3; (11)Surface Tension: 34.3 dyne/cm; (12)Density: 0.927 g/cm3; (13)Flash Point: 118.5 °C; (14)Enthalpy of Vaporization: 51.15 kJ/mol; (15)Boiling Point: 273.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00582 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)C)CCCCC
(2)InChI: InChI=1S/C12H19N/c1-3-4-5-10-13-12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3
(3)InChIKey: VDOVPACVUJTIMZ-UHFFFAOYSA-N