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Glycine,N-methyl-N-(1-oxooctadecyl)-

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Name

Glycine,N-methyl-N-(1-oxooctadecyl)-

EINECS 205-539-7
CAS No. 142-48-3 Density 0.95 g/cm3
PSA 57.61000 LogP 5.79090
Solubility N/A Melting Point 65-66.5 °C
Formula C21H41NO3 Boiling Point 489.8 °C at 760 mmHg
Molecular Weight 355.561 Flash Point 250 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 142-48-3 (STEAROYL SARCOSINE) Hazard Symbols N/A
Synonyms

Sarcosine,N-stearoyl- (6CI,7CI,8CI);(N-Methyl-N-octadecanoylamino)acetic acid;N-Octadecanoyl-sarcosine;N-Stearoylsarcosine;Sarkosyl S;Stearoyl sarcosine;

Article Data 7

Glycine,N-methyl-N-(1-oxooctadecyl)- Synthetic route

107-97-1

sarcosine

112-76-5

Stearoyl chloride

142-48-3

N-stearoyl sarcosine

Conditions
ConditionsYield
With sodium hydroxide
With water; magnesium oxide
4316-73-8

sodium sarcosinate

112-76-5

Stearoyl chloride

142-48-3

N-stearoyl sarcosine

Conditions
ConditionsYield
In water at 40 - 50℃; for 1h; pH 9.5-10.5;

Glycine,N-methyl-N-(1-oxooctadecyl)- Specification

The Glycine, N-methyl-N-(1-oxooctadecyl)-, with the CAS registry number 142-48-3, is also known as N-Methyl-N-(1-oxooctadecyl)glycine. Its EINECS registry number is 205-539-7. This chemical's molecular formula is C21H41NO3 and molecular weight is 355.56. What's more, its systematic name is N-Methyl-N-octadecanoylglycine.

Physical properties about Glycine, N-methyl-N-(1-oxooctadecyl)- are: (1)ACD/LogP: 7.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 1996.77; (6)ACD/BCF (pH 7.4): 78.59; (7)ACD/KOC (pH 5.5): 1922.48; (8)ACD/KOC (pH 7.4): 75.67; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 104.65 cm3; (15)Molar Volume: 374.1 cm3; (16)Polarizability: 41.48×10-24 cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 250 °C; (20)Enthalpy of Vaporization: 82.81 kJ/mol; (21)Boiling Point: 489.8 °C at 760 mmHg; (22)Vapour Pressure: 6.19E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N(C)CC(=O)O)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C21H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h3-19H2,1-2H3,(H,24,25)
(3) InChIKey: RJYOKYDKKOFLBT-UHFFFAOYAK

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