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Name |
Glycine,N-methyl-N-(1-oxo-9-octadecen-1-yl)- |
EINECS | N/A |
CAS No. | 16693-85-9 | Density | 0.961 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H39NO3 | Boiling Point | 499.4 °C at 760 mmHg |
Molecular Weight | 353.54 | Flash Point | 255.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Glycine,N-methyl-N-(1-oxo-9-octadecenyl)- (9CI);Sarcosine, N-9-octadecenoyl- (8CI);NSC 163945; |
The Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, with the CAS registry number 16693-85-9, is also known as Sarcosine, N-9-octadecenoyl- (8CI). This chemical's molecular formula is C21H39NO3 and molecular weight is 353.54. What's more, its systematic name is N-Methyl-N-octadec-9-enoylglycine.
Physical properties about Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)- are: (1)ACD/LogP: 7.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 805.9; (6)ACD/BCF (pH 7.4): 31.73; (7)ACD/KOC (pH 5.5): 1004.06; (8)ACD/KOC (pH 7.4): 39.53; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 104.71 cm3; (15)Molar Volume: 367.7 cm3; (16)Polarizability: 41.51×10-24 cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 0.961 g/cm3; (19)Flash Point: 255.9 °C; (20)Enthalpy of Vaporization: 84.06 kJ/mol; (21)Boiling Point: 499.4 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N(C)CC(=O)O)CCCCCCCC=CCCCCCCCC
(2) InChI: InChI=1/C21H39NO3/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/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)
(3) InChIKey: DIOYAVUHUXAUPX-UHFFFAOYAL