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Name |
Amines, tri-C14-18-alkyl |
EINECS | 266-924-3 |
CAS No. | 67701-00-2 | Density | 0.832 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C46H95N | Boiling Point | 680.9 °C at 760 mmHg |
Molecular Weight | 662.25 | Flash Point | 301.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N,N-dipentadecylhexadecan-1-amine;SDA 17-044-00; |
The CAS registry number of Amines, tri-C14-18-alkyl is 67701-00-2. The IUPAC name is N,N-dipentadecylhexadecan-1-amine. Its EINECS registry number is 266-924-3. In addition, the molecular formula is C46H95N and the molecular weight is 662.25.
Physical properties about Amines, tri-C14-18-alkyl are: (1)ACD/LogP: 22.91; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 19.84; (4)ACD/LogD (pH 7.4): 20.56; (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)#Freely Rotating Bonds: 43; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 218.88 cm3; (14)Molar Volume: 795 cm3; (15)Polarizability: 86.77 ×10-24cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.832 g/cm3; (18)Flash Point: 301.9 °C; (19)Enthalpy of Vaporization: 99.91 kJ/mol; (20)Boiling Point: 680.9 °C at 760 mmHg; (21)Vapour Pressure: 2.15E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C46H95N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-47(44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-46H2,1-3H3
(3)InChIKey: HQNSITMHFIBPTB-UHFFFAOYAQ