Cas no 4696-47-3 (1-Hexadecanol,1-(hydrogen sulfate), ammonium salt (1:1))
4696-47-3 structure
Product Name:1-Hexadecanol,1-(hydrogen sulfate), ammonium salt (1:1)
CAS No:4696-47-3
MF:C16H37NO4S
MW:339.534284353256
CID:325758
PubChem ID:44554694
Update Time:2025-04-19
1-Hexadecanol,1-(hydrogen sulfate), ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexadecanol,1-(hydrogen sulfate), ammonium salt (1:1)
- ammonium hexadecyl sulphate
- azane,hexadecyl hydrogen sulfate
- 1-Hexadecanol, hydrogen sulfate, ammonium salt
- Ammonium hexadecyl sulfate
- Cetyl sulfate ammonium salt
- hexadecyl hydrogen sulfate ammoniate (1:1)
- 4696-47-3
- DTXSID6063563
- NS00082660
- SCHEMBL344843
-
- Inchi： 1S/C16H34O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);1H3
- InChI Key： OADXQALOSREDRB-UHFFFAOYSA-N
- SMILES： S(=O)(=O)([O-])OCCCCCCCCCCCCCCCC.[NH4+]
Computed Properties
- Exact Mass: 339.24451
- Monoisotopic Mass: 339.244
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 296
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 73A^2
Experimental Properties
- Boiling Point: 469°Cat760mmHg
- Flash Point: 237.5°C
- PSA: 102.93
1-Hexadecanol,1-(hydrogen sulfate), ammonium salt (1:1) Related Literature
-
Rui F. P. Pereira,Artur J. M. Valente,Hugh D. Burrows,Verónica de Zea Bermudez,Rui A. Carvalho,Ricardo A. E. Castro RSC Adv. 2013 3 1420
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid monoesters
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Sulfuric acid monoesters
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