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4317-79-7

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Basic Information
CAS No.: 4317-79-7
Name: N-tetradecylpropane-1,3-diamine
Article Data: 4
Molecular Structure:
Molecular Structure of 4317-79-7 (N-tetradecylpropane-1,3-diamine)
Formula: C17H38N2
Molecular Weight: 270.502
Synonyms: N-Tetradecyl-1,3-propanediamine;
EINECS: 224-343-2
Density: 0.84 g/cm3
Boiling Point: 356 °C at 760 mmHg
Flash Point: 198.8 °C
PSA: 38.05000
LogP: 5.71710
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Specification

The 1,3-Propanediamine,N1-tetradecyl-, with the CAS registry number 4317-79-7, is also known as N-Tetradecyl-1,3-propanediamine. Its EINECS registry number is 224-343-2. This chemical's molecular formula is C17H38N2 and molecular weight is 270.497. What's more, both its IUPAC name and systematic name are the same which is N'-Tetradecylpropane-1,3-diamine.

Physical properties about 1,3-Propanediamine,N1-tetradecyl- are: (1)ACD/LogP: 6.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 2.11; (6)ACD/BCF (pH 7.4): 3.29; (7)ACD/KOC (pH 5.5): 4.06; (8)ACD/KOC (pH 7.4): 6.35; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 87.93 cm3; (15)Molar Volume: 321.6 cm3; (16)Polarizability: 34.86×10-24 cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 60.12 kJ/mol; (21)Boiling Point: 356 °C at 760 mmHg; (22)Vapour Pressure: 3E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCCCNCCCCCCCCCCCCCC
(2) InChI: InChI=1/C17H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h19H,2-18H2,1H3
(3) InChIKey: SSSZZOVUXFLWCQ-UHFFFAOYAZ