CompoundList
Sign in
Aromatic building blocks

4-Hydroxybunitrolol

Also known as para-Hydroxybunitrolol, Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-5-hydroxy-, 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxybenzonitrile

CAS 68808-74-2Formula C14H20N2O3Molar mass 264.33 g/mol
Get quotes Safety data
4-Hydroxybunitrolol chemical structure, C14H20N2O3, CAS 68808-74-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
68808-74-2
Formula
C14H20N2O3
Molar mass
264.33 g/mol
HS code
292690
Category
Aromatic building blocks

What is 4-Hydroxybunitrolol?

Plain description, key identifiers and synonyms

4-Hydroxybunitrolol is a chemical substance with the molecular formula C14H20N2O3 and a molar mass of 264.33 g/mol. Its CAS registry number is 68808-74-2. The IUPAC name is 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxybenzonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxybenzonitrile
CAS number
68808-74-2 CAS number cross-checked
Molecular formula
C14H20N2O3
InChIKey
YKEYQHVHOYKQGR-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)16-8-12(18)9-19-13-5-4-11(17)6-10(13)7-15/h4-6,12,16-18H,8-9H2,1-3H3
SMILES (canonical and isomeric)
CC(C)(C)NCC(COC1=C(C=C(C=C1)O)C#N)O

Synonyms

  • para-Hydroxybunitrolol
  • Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-5-hydroxy-
  • 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxybenzonitrile
  • Koe 1801

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
264.33 g/molcalc.
Exact mass
264.1474 Dacalc.
LogP (octanol/water)
1.39calc.
Topological polar surface area
85.51 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
19calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

4-Hydroxybunitrolol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade 4-Hydroxybunitrolol can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

4-Hydroxybunitrolol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 4-Hydroxybunitrolol is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for 4-Hydroxybunitrolol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Hydroxybunitrolol, based on the data on this page

What is 4-Hydroxybunitrolol?

4-Hydroxybunitrolol is a chemical substance with the molecular formula C14H20N2O3 and a molar mass of 264.33 g/mol. Its CAS registry number is 68808-74-2. The IUPAC name is 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxybenzonitrile.

What is the CAS number of 4-Hydroxybunitrolol?

The CAS registry number of 4-Hydroxybunitrolol is 68808-74-2.

What is the molecular formula and weight of 4-Hydroxybunitrolol?

The molecular formula of 4-Hydroxybunitrolol is C14H20N2O3 and its molar mass is 264.33 g/mol.

What is 4-Hydroxybunitrolol used for?

Known uses and roles of 4-Hydroxybunitrolol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4-Hydroxybunitrolol hazardous?

No GHS hazard classification for 4-Hydroxybunitrolol 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 4-Hydroxybunitrolol?

4-Hydroxybunitrolol is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Hydroxybunitrolol?

Post a free request on CompoundList and suppliers of 4-Hydroxybunitrolol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Hydroxybunitrolol?

Suppliers quote 4-Hydroxybunitrolol 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 4-Hydroxybunitrolol

Get quotes for 4-Hydroxybunitrolol

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell 4-Hydroxybunitrolol
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of 4-Hydroxybunitrolol with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/4-hydroxybunitrolol-68808-74-2" title="4-Hydroxybunitrolol structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aromatic building blocks or HS code 292690

Price on request
Free quotes, contact stays private
Get quotes