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ACTIVE PHARMA INGREDIENTS

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Also known as: 32612-48-9, Ammonium dodecyl poly oxyethylene sulfate, Azane;2-dodecoxyethyl hydrogen sulfate, 71892-96-1, Schembl675554, Sodium lauryl sulfate, 48-50%

Molecular Formula

C₁₄H₃₃NO₅S

Molecular Weight

327.48 g/mol

InChI Key

OPVLOHUACNWTQT-UHFFFAOYSA-N

1 2D Structure

Ammonium Laureth Sulfate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azane;2-dodecoxyethyl hydrogen sulfate

2.1.2 InChI

InChI=1S/C14H30O5S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);1H3

2.1.3 InChI Key

OPVLOHUACNWTQT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCOCCOS(=O)(=O)O.N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 32612-48-9

2. Ammonium Dodecyl Poly Oxyethylene Sulfate

3. Azane;2-dodecoxyethyl Hydrogen Sulfate

4. 71892-96-1

5. Schembl675554

6. Sodium Lauryl Sulfate, 48-50%

7. Sodium Lauryl Sulfate, 28.0-30.0%

8. Polyethylene Glycol Lauryl Ether Sulfate Ammonium Salt

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₃₃NO₅S
Molecular Weight	327.48 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	327.20794433 g/mol
Monoisotopic Mass	327.20794433 g/mol
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	284
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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