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Cationic surfactants

PC 16

Also known as N-(alpha-N-Palmitoyl-epsilon-N-(4-nitrobenz-2-oxa-1,3-diazole)lysine)-2-aminoethanol-N-(trimethylaminoethanol)phosphate

CAS 109897-91-8Formula C35H62N7O9PMolar mass 755.90 g/mol
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PC 16 chemical structure, C35H62N7O9P, CAS 109897-91-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
109897-91-8
Formula
C35H62N7O9P
Molar mass
755.90 g/mol
HS code
293499
Category
Cationic surfactants

What is PC 16?

Plain description, key identifiers and synonyms

PC 16 is a chemical substance with the molecular formula C35H62N7O9P and a molar mass of 755.90 g/mol. Its CAS registry number is 109897-91-8. The IUPAC name is 2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CAS number
109897-91-8 CAS number cross-checked
Molecular formula
C35H62N7O9P
InChIKey
PGROHZHFGAHXNO-PMERELPUSA-N
InChI
InChI=1S/C35H62N7O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(43)38-30(35(44)37-25-27-49-52(47,48)50-28-26-42(2,3)4)20-18-19-24-36-29-22-23-31(41(45)46)34-33(29)39-51-40-34/h22-23,30H,5-21,24-28H2,1-4H3,(H3-,36,37,38,40,43,44,47,48)/t30-/m0/s1
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NC(CCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)NCCOP(=O)([O-])OCC[N+](C)(C)C
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])C(=O)NCCOP(=O)([O-])OCC[N+](C)(C)C

Synonyms

  • N-(alpha-N-Palmitoyl-epsilon-N-(4-nitrobenz-2-oxa-1,3-diazole)lysine)-2-aminoethanol-N-(trimethylaminoethanol)phosphate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
755.90 g/molcalc.
Exact mass
755.4347 Dacalc.
LogP (octanol/water)
6calc.
Topological polar surface area
210.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
31calc.
Heavy atoms
52calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2nonc2c1

c1ccc2nonc2c1

2 rings, 9 atoms, the 2,1,3-Benzoxadiazole ring system.

557 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PC 16 suppliers

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PC 16 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PC 16 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for PC 16 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PC 16, based on the data on this page

What is PC 16?

PC 16 is a chemical substance with the molecular formula C35H62N7O9P and a molar mass of 755.90 g/mol. Its CAS registry number is 109897-91-8. The IUPAC name is 2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate.

What is the CAS number of PC 16?

The CAS registry number of PC 16 is 109897-91-8.

What is the molecular formula and weight of PC 16?

The molecular formula of PC 16 is C35H62N7O9P and its molar mass is 755.90 g/mol.

What is PC 16 used for?

Known uses and roles of PC 16 include surfactants in home care and cleaning.

Is PC 16 hazardous?

No GHS hazard classification for PC 16 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PC 16?

PC 16 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PC 16?

Post a free request on CompoundList and suppliers of PC 16 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PC 16?

Suppliers quote PC 16 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PC 16

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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