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Lipids and fatty acids

Nbd-ocpc

Also known as 1-Oleoyl-2-nbd-6-aminocaproyl-sn-glycero-3-phosphocholine, 1-Oleoyl-2-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproylphosphatidylcholine, [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

CAS 99566-32-2Formula C38H64N5O11PMolar mass 797.93 g/mol
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Nbd-ocpc chemical structure, C38H64N5O11P, CAS 99566-32-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99566-32-2
Formula
C38H64N5O11P
Molar mass
797.93 g/mol
HS code
293499
Category
Lipids and fatty acids

What is Nbd-ocpc?

Plain description, key identifiers and synonyms

Nbd-ocpc is a chemical substance with the molecular formula C38H64N5O11P and a molar mass of 797.93 g/mol. Its CAS registry number is 99566-32-2. The IUPAC name is [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS number
99566-32-2
Molecular formula
C38H64N5O11P
InChIKey
OEOBAFBXLIMNCV-SEYXRHQNSA-N
InChI
InChI=1S/C38H64N5O11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-35(44)50-30-32(31-52-55(48,49)51-29-28-43(2,3)4)53-36(45)24-21-19-22-27-39-33-25-26-34(42(46)47)38-37(33)40-54-41-38/h12-13,25-26,32H,5-11,14-24,27-31H2,1-4H3,(H-,39,41,48,49)/b13-12-
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]

Synonyms

  • 1-Oleoyl-2-nbd-6-aminocaproyl-sn-glycero-3-phosphocholine
  • 1-Oleoyl-2-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproylphosphatidylcholine
  • [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl 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
797.93 g/molcalc.
Exact mass
797.434 Dacalc.
LogP (octanol/water)
7.8calc.
Topological polar surface area
205.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
33calc.
Heavy atoms
55calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.74calc.
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.

Nbd-ocpc suppliers

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Nbd-ocpc 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 Nbd-ocpc 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 Nbd-ocpc is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nbd-ocpc, based on the data on this page

What is Nbd-ocpc?

Nbd-ocpc is a chemical substance with the molecular formula C38H64N5O11P and a molar mass of 797.93 g/mol. Its CAS registry number is 99566-32-2. The IUPAC name is [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the CAS number of Nbd-ocpc?

The CAS registry number of Nbd-ocpc is 99566-32-2.

What is the molecular formula and weight of Nbd-ocpc?

The molecular formula of Nbd-ocpc is C38H64N5O11P and its molar mass is 797.93 g/mol.

What is Nbd-ocpc used for?

Known uses and roles of Nbd-ocpc include surfactants in home care and cleaning.

Is Nbd-ocpc hazardous?

No GHS hazard classification for Nbd-ocpc 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 Nbd-ocpc?

Nbd-ocpc 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 Nbd-ocpc?

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

What is the price of Nbd-ocpc?

Suppliers quote Nbd-ocpc 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

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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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