-
Name
N-hexadecylpropane-1,3-diamine
- EINECS 230-527-3
- CAS No. 7173-60-6
- Density 0.841 g/cm3
- Solubility
- Melting Point
- Formula C19H42N2
- Boiling Point 384 °C at 760 mmHg
- Molecular Weight 298.556
- Flash Point 219.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-Hexadecyltrimethylenediamine;
- PSA 38.05000
- LogP 6.49730
1,3-Propanediamine,N1-hexadecyl- Specification
The 1,3-Propanediamine,N1-hexadecyl-, with the CAS registry number 7173-60-6, is also known as N-Hexadecyltrimethylenediamine. Its EINECS registry number is 230-527-3. This chemical's molecular formula is C19H42N2 and molecular weight is 298.5502. What's more, both its IUPAC name and systematic name are the same which is N'-Hexadecylpropane-1,3-diamine.
Physical properties about 1,3-Propanediamine,N1-hexadecyl- are: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 13.55; (6)ACD/BCF (pH 7.4): 21.15; (7)ACD/KOC (pH 5.5): 15.39; (8)ACD/KOC (pH 7.4): 24.03; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 97.2 cm3; (15)Molar Volume: 354.6 cm3; (16)Polarizability: 38.53×10-24 cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.841 g/cm3; (19)Flash Point: 219.5 °C; (20)Enthalpy of Vaporization: 63.26 kJ/mol; (21)Boiling Point: 384 °C at 760 mmHg; (22)Vapour Pressure: 4.23E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: NCCCNCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C19H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h21H,2-20H2,1H3
(3) InChIKey: UKNVXIMLHBKVAE-UHFFFAOYAO
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