N-Oleoyl Sarcosine

Inquiry

Molecular Formula:

C21H39NO3

Molecular Weight:

353.54

CAS Number:

110-25-8

Catalog Number:

110-25-8

Product Information

Molecular Formula:

C21H39NO3

Molecular Weight:

353.54

Description

Oleoyl sarcosine is a N-acyl-amino acid.

Synonyms

SARKOSYL O; N-OLEOYLSARCOSINATE; N-OLEOYLSARCOSINE; N-OLEYL SARCOSINE; N-CIS-9-OCTADECANOYLSARCOSINE; N-CIS-OCTADECENOYLSARCOSINE; OLEOYL SARCOSINE; (z)-glycin

IUPAC Name

2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid

Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/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)/b11-10-

InChI Key

DIOYAVUHUXAUPX-KHPPLWFESA-N

Boiling Point

499.4°C

Melting Point

16.1-17.0°C

Flash Point

221 °C

Density

0.961g/cm3

Appearance

Clear, Yellow, Viscous Liquid

Storage

2-8°C

Refractive Index

1.481

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

LogP

5.56690

Vapor Pressure

2.47E-11mmHg at 25°C

Safety Information

Hazards

H315:
Causes skin irritation.
H318:
Causes serious eye damage.
H332:
Harmful if inhaled.
H400:
Very toxic to aquatic life.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P391:
Collect spillage.

Computed Properties

XLogP3

6.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

353.29299411 g/mol

Monoisotopic Mass

353.29299411 g/mol

Topological Polar Surface Area

57.6Å²

Heavy Atom Count

Formal Charge

Complexity

366

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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WO-2021127699-A1	Oral care compositions and methods of use	2019-12-20
JP-2021098762-A	Gear oil composition	2019-12-19
US-2021177712-A1	Thickening Silica as Fluoride Carrier for Tailored Delivery and Slow Release	2019-12-12
WO-2021116370-A1	Thickening silica as fluoride carrier for tailored delivery and slow release	2019-12-12
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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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