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| CAS No.: | 68411-97-2 |
|---|---|
| Name: | Glycine, N-methyl-, N-coco acyl derivs. |
| Molecular Structure: | |
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| Formula: | C3H7NO2 |
| Molecular Weight: | 89.09 |
| Synonyms: | Glycine, N-methyl-,N-coco acyl derivs.;Cocoylsarcosine;N-Cocoyl-N-methylglycine;2-(Methylamino)acetic acid;Glycine, N-methyl-N-(1-oxococonut alkyl)-;N-Cocoyl-N-methyl glycine;N-Methyl-N-(1-oxococonut alkyl)glycine;N-Methylglycine, N-coco acyl derivs.; |
| EINECS: | 270-156-4 |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 195.1 °C at 760 mmHg |
| Flash Point: | 71.8 °C |
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Specification
The Cocoyl sarcosine, with the CAS registry number 68411-97-2, is also known as N-Cocoyl-N-methylglycine. Its EINECS number is 270-156-4. This chemical's molecular formula is C3H7NO2 and formula weight is 89.09. What's more, its IUPAC name is 2-(methylamino)acetic acid. Its classification code is TSCA UVCB.
Physical properties of Cocoyl sarcosine are: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.431; (11)Molar Refractivity: 21.1 cm3; (12)Molar Volume: 81.4 cm3; (13)Surface Tension: 37.1 dyne/cm; (14)Density: 1.093 g/cm3; (15)Flash Point: 71.8 °C; (16)Enthalpy of Vaporization: 47.54 kJ/mol; (17)Boiling Point: 195.1 °C at 760 mmHg; (18)Vapour Pressure: 0.184 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNCC(=O)O
(2)InChI: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
(3)InChIKey: FSYKKLYZXJSNPZ-UHFFFAOYSA-N