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| CAS No.: | 16724-61-1 |
|---|---|
| Name: | DIPALMITAMINE |
| Molecular Structure: | |
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| Formula: | C33H69N |
| Molecular Weight: | 479.918 |
| Synonyms: | Dihexadecylamine,N-methyl- (8CI);Armeen M 2-16;Dihexadecylmethylamine;Methyldipalmitylamine;N,N-Dihexadecylmethylamine; |
| Density: | 0.826 g/cm3 |
| Melting Point: | 36-37 °C |
| Boiling Point: | 540.6 °C at 760 mmHg |
| Flash Point: | 241.2 °C |
| PSA: | 3.24000 |
| LogP: | 11.88080 |
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Specification
The 1-Hexadecanamine,N-hexadecyl-N-methyl-, with the CAS registry number 16724-61-1, is also known as N,N-Dihexadecylmethylamine. This chemical's molecular formula is C33H69N and molecular weight is 479.91. What's more, its systematic name is N-hexadecyl-N-methylhexadecan-1-amine. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 1-Hexadecanamine,N-hexadecyl-N-methyl- are: (1)ACD/LogP: 16.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.93; (4)ACD/LogD (pH 7.4): 13.67; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 158.65 cm3; (15)Molar Volume: 580.5 cm3; (16)Polarizability: 62.89×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.826 g/cm3; (19)Flash Point: 241.2 °C; (20)Enthalpy of Vaporization: 81.83 kJ/mol; (21)Boiling Point: 540.6 °C at 760 mmHg; (22)Vapour Pressure: 9.38E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(CCCCCCCCCCCCCCCC)(C)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C33H69N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-33H2,1-3H3
(3)InChIKey: KCMTVIZYKDBFFS-UHFFFAOYSA-N