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Cas Database

Name	N-Benzyloctadecanamide	EINECS	N/A
CAS No.	5327-45-7	Density	0.914 g/cm³
PSA	29.10000	LogP	7.95520
Solubility	N/A	Melting Point	N/A
Formula	C₂₅H₄₃NO	Boiling Point	525.317 °C at 760 mmHg
Molecular Weight	373.623	Flash Point	326.346 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Octadecanamide, N-benzyl- (7CI,?8CI);Stearamide, N-benzyl- (4CI);N-(Phenylmethyl)octadecanamide;NSC 3333;	Article Data	16

N-Benzyloctadecanamide Synthetic route

: 57-11-4
stearic acid

: 622-79-7
benzyl azide

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
With 2,2'-dipyridyldiselenide; trimethylphosphane In toluene at 0 - 20℃; Staudinger-Vilarrasa reaction; Inert atmosphere;	94%

: 57-11-4
stearic acid

: 100-46-9
benzylamine

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
With Bromotrichloromethane; 4-(diphenylphosphino)-benzyltrimethylammonium bromide; triethylamine In tetrahydrofuran; dichloromethane at 60℃; for 6h; Inert atmosphere;	93%
Stage #1: stearic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 2h; Stage #2: benzylamine With dmap In dichloromethane at 20℃; for 18h;	85%
With nano-Fe3O4-supported sulfonic acid In neat (no solvent) at 120℃; for 2h; Green chemistry;	76%

: 65212-12-6
distearoyl diselenide

: 100-46-9
benzylamine

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
In benzene at 25℃; for 0.166667h;	88%

: 86734-18-1
1-Pyrrol-1-yl-octadecan-1-one

: 100-46-9
benzylamine

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
In tetrahydrofuran for 16h; Heating;	87%
In tetrahydrofuran for 16h; Product distribution; Heating;	87%

: 112-76-5
Stearoyl chloride

: 100-46-9
benzylamine

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
With benzene
With dmap In dichloromethane at 25℃; for 2h;

: 124-26-5
stearamide

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 72 percent / Amberlyst A-21 resin / acetonitrile / 16 h / 55 °C 2: 87 percent / tetrahydrofuran / 16 h / Heating View Scheme

: C36H50OSSi

: 100-46-9
benzylamine

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
In 5,5-dimethyl-1,3-cyclohexadiene at 60℃; Inert atmosphere;	120 mg

: 57-11-4
stearic acid

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (2,3,4,5,6-pentafluorophenyl)ammonium triflate / 5,5-dimethyl-1,3-cyclohexadiene / 2 h / Inert atmosphere; Reflux 2: 5,5-dimethyl-1,3-cyclohexadiene / 60 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: thionyl chloride / dichloromethane / 2 h / 25 °C 2: dmap / dichloromethane / 2 h / 25 °C View Scheme

: C25H50N2O2

: 100-46-9
benzylamine

: 5327-45-7
N-benzyl-octadecanamide

Conditions

Conditions	Yield
In water at 20℃; for 0.25h; Green chemistry;

: 5327-45-7
N-benzyl-octadecanamide

A: 57-11-4
stearic acid

B: 100-46-9
benzylamine

Conditions

Conditions	Yield
mit UV-Licht.Irradiation;

N-Benzyloctadecanamide Specification

The N-Benzyloctadecanamide, with the CAS registry number 5327-45-7, is also known as N-(Phenylmethyl)octadecanamide. This chemical's molecular formula is C₂₅H₄₃NO and molecular weight is 373.61. What's more, its systematic name is N-Benzyloctadecanamide.

Physical properties of N-Benzyloctadecanamide are: (1)ACD/LogP: 9.12 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 9.12; (3)ACD/LogD (pH 7.4): 9.12; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 2179544.00; (7)ACD/KOC (pH 7.4): 2179546.00; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 18; (11)Polar Surface Area: 29.1 Å²; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 118.185 cm³; (14)Molar Volume: 408.801 cm³; (15)Polarizability: 46.852×10^-24cm³; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 0.914 g/cm³; (18)Flash Point: 326.346 °C; (19)Enthalpy of Vaporization: 79.941 kJ/mol; (20)Boiling Point: 525.317 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1ccccc1)CCCCCCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,26,27)
(3)Std. InChIKey: IXODJGLAVBPVSW-UHFFFAOYSA-N

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