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Screening compounds

Nir-628

Also known as 2,10-Bis(3-aminopropoxy)dibenzo[a,j]perylene-8,16-dione, 2 10-Bis(3-aminopropoxy)dibenzo[a j]pery, 6,19-bis(3-aminopropoxy)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione

CAS 243670-16-8Formula C34H28N2O4Molar mass 528.61 g/molEC 634-790-9
GHS signal word: Warning. Pictograms: Harmful or irritant
Get quotes Safety data
Nir-628 chemical structure, C34H28N2O4, CAS 243670-16-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
243670-16-8
Formula
C34H28N2O4
Molar mass
528.61 g/mol
EC number
634-790-9
HS code
292229
Category
Screening compounds

What is Nir-628?

Plain description, key identifiers and synonyms

Nir-628 is a chemical substance with the molecular formula C34H28N2O4 and a molar mass of 528.61 g/mol. Its CAS registry number is 243670-16-8. The IUPAC name is 6,19-bis(3-aminopropoxy)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6,19-bis(3-aminopropoxy)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione
CAS number
243670-16-8 CAS number cross-checked
EC number
634-790-9
Molecular formula
C34H28N2O4
InChIKey
GLYICBWZRQDSNT-UHFFFAOYSA-N
InChI
InChI=1S/C34H28N2O4/c35-13-3-15-39-19-10-12-22-27(17-19)33(37)25-7-1-5-23-29-21-11-9-20(40-16-4-14-36)18-28(21)34(38)26-8-2-6-24(32(26)29)30(22)31(23)25/h1-2,5-12,17-18H,3-4,13-16,35-36H2
SMILES (canonical and isomeric)
C1=CC2=C3C4=C(C=C(C=C4)OCCCN)C(=O)C5=CC=CC(=C53)C6=C2C(=C1)C(=O)C7=C6C=CC(=C7)OCCCN

Synonyms

  • 2,10-Bis(3-aminopropoxy)dibenzo[a,j]perylene-8,16-dione
  • 2 10-Bis(3-aminopropoxy)dibenzo[a j]pery
  • 6,19-bis(3-aminopropoxy)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione
  • NIR-628, suitable for fluorescence, >=98.0% (HPCE)
  • 2,10-bis-(3-aminopropyloxy) dibenzo[a,j]perylene-8,16-dione

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
528.61 g/molcalc.
Exact mass
528.2049 Dacalc.
LogP (octanol/water)
5.66calc.
Topological polar surface area
104.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
40calc.
Rings
7calc.
Aromatic rings
7calc.
Fraction sp3 carbons
0.18calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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, O=c1c2ccccc2c2c3cccc4c(=O)c5ccccc5c(c5cccc1c52)c43

O=c1c2ccccc2c2c3cccc4c(=O)c5ccccc5c(c5cccc1c52)c43

7 rings, 30 atoms, the Dibenzo[a,j]perylene-8,16-dione ring system.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Nir-628 suppliers

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Nir-628 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

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 Nir-628 is traded under.

HS 2922.29Indicative HS code

Amino-naphthols and other amino-phenols, other than those containing more than one kind…

World exports in 2024
$467M
−15.3% vs 2023, imports $454M
2019 to 2024
Top exporters
  1. China63.1%
  2. India * partner reported15.5%
  3. Japan4.0%
Top importers
  1. India * partner reported25.8%
  2. United States14.4%
  3. South Korea7.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Nir-628 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nir-628, based on the data on this page

What is Nir-628?

Nir-628 is a chemical substance with the molecular formula C34H28N2O4 and a molar mass of 528.61 g/mol. Its CAS registry number is 243670-16-8. The IUPAC name is 6,19-bis(3-aminopropoxy)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione.

What is the CAS number of Nir-628?

The CAS registry number of Nir-628 is 243670-16-8.

What is the molecular formula and weight of Nir-628?

The molecular formula of Nir-628 is C34H28N2O4 and its molar mass is 528.61 g/mol.

What is Nir-628 used for?

Known uses and roles of Nir-628 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nir-628 hazardous?

Nir-628 carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nir-628?

Nir-628 is usually classified under HS code 292229 (Amino-naphthols and other amino-phenols, other than those containing more than one kind…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nir-628?

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What is the price of Nir-628?

Suppliers quote Nir-628 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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