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CAS No.: | 142-48-3 |
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Name: | STEAROYL SARCOSINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C21H41NO3 |
Molecular Weight: | 355.561 |
Synonyms: | Sarcosine,N-stearoyl- (6CI,7CI,8CI);(N-Methyl-N-octadecanoylamino)acetic acid;N-Octadecanoyl-sarcosine;N-Stearoylsarcosine;Sarkosyl S;Stearoyl sarcosine; |
EINECS: | 205-539-7 |
Density: | 0.95 g/cm3 |
Melting Point: | 65-66.5 °C |
Boiling Point: | 489.8 °C at 760 mmHg |
Flash Point: | 250 °C |
PSA: | 57.61000 |
LogP: | 5.79090 |
Conditions | Yield |
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With sodium hydroxide | |
With water; magnesium oxide |
Conditions | Yield |
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In water at 40 - 50℃; for 1h; pH 9.5-10.5; |
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