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Name |
Glycine, N-methyl-,N-coco acyl derivs., sodium salts |
EINECS | 263-193-2 |
CAS No. | 61791-59-1 | Density | N/A |
PSA | 49.33000 | LogP | -0.31870 |
Solubility | Soluble | Melting Point |
N/A |
Formula | C3H6NNaO2 | Boiling Point | 382℃[at 101 325 Pa] |
Molecular Weight | 111.07501 | Flash Point | N/A |
Transport Information | 200kgs | Appearance | Clear liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(Coconutoil acyl)sarcosine, sodium salt; |
The Glycine, N-methyl-,N-coco acyl derivs., sodium salts, with the cas registry number 61791-59-1, has the IUPAC name of sodium 2-(methylamino)acetate.
The physical properties of this chemical are as follows: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -3.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.54; (13)Exact Mass: 111.029623; (14)MonoIsotopic Mass: 111.029623; (15)Topological Polar Surface Area: 52.2; (16)Heavy Atom Count: 7; (17)Formal Charge: 0; (18)Complexity: 56.9.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CNCC(=O)[O-].[Na+]
(2)InChI: InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
(3)InChIKey: ZUFONQSOSYEWCN-UHFFFAOYSA-M