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

Name
STEAROYL SARCOSINE
EINECS 205-539-7
CAS No. 142-48-3
Article Data7
CAS DataBase
Density 0.95 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sarcosine,N-stearoyl- (6CI,7CI,8CI);(N-Methyl-N-octadecanoylamino)acetic acid;N-Octadecanoyl-sarcosine;N-Stearoylsarcosine;Sarkosyl S;Stearoyl sarcosine;
PSA 57.61000
LogP 5.79090

Synthetic route

: 107-97-1
sarcosine

: 112-76-5
Stearoyl chloride

: 142-48-3
N-stearoyl sarcosine

Conditions

Conditions	Yield
With sodium hydroxide
With water; magnesium oxide

: 4316-73-8
sodium sarcosinate

: 112-76-5
Stearoyl chloride

: 142-48-3
N-stearoyl sarcosine

Conditions

Conditions	Yield
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

Product Name

STEAROYL SARCOSINE

Synthetic route

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

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