Products Categories
| CAS No.: | 58493-50-8 |
|---|---|
| Name: | Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)- |
| Molecular Structure: | |
|
|
|
| Formula: | C26H45NO3 |
| Molecular Weight: | 419.648 |
| Synonyms: | N-Vanillyl-stearamid; N-Vanillyl-stearinamid; N-Vanillyloctadecanamide; N-vanillyl-stearamide; |
| Density: | 0.973 g/cm3 |
| Melting Point: | 94.5-95 °C |
| Boiling Point: | 586.1 °C at 760 mmHg |
| Flash Point: | 308.3 °C |
| PSA: | 62.05000 |
| LogP: | 8.11880 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
What can I do for you?
Get Best Price
Specification
The IUPAC name of this chemical is N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadecanamide. With the CAS registry number 58493-50-8, it is also named as octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-. In addition, the molecular formula is C26H45NO3 and the molecular weight is 419.64. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 8.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.21; (4)ACD/LogD (pH 7.4): 8.21; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 698343.38; (8)ACD/KOC (pH 7.4): 695300.63; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 126.74 cm3; (15)Molar Volume: 431.2 cm3; (16)Polarizability: 50.24 ×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 0.973 g/cm3; (19)Flash Point: 308.3 °C; (20)Enthalpy of Vaporization: 90.78 kJ/mol; (21)Boiling Point: 586.1 °C at 760 mmHg; (22)Vapour Pressure: 2.46E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1cc(OC)c(O)cc1)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C26H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h19-21,28H,3-18,22H2,1-2H3,(H,27,29)
(3)InChIKey: SBFFPOWNFONUBK-UHFFFAOYAX
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 50mg/kg (50mg/kg) | Journal of Medicinal Chemistry. Vol. 36, Pg. 2595, 1993. |