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Screening compounds

RU 25591

Also known as 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-, cis-, (5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine, 6,7,8,9-Tetrahydro-N,N-dimethyl-5-(nitrophenyl)oxy-5H-benzocycloheptene-7-amine fumarate

CAS 72575-45-2Formula C19H22N2O3Molar mass 326.40 g/mol
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RU 25591 chemical structure, C19H22N2O3, CAS 72575-45-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72575-45-2
Formula
C19H22N2O3
Molar mass
326.40 g/mol
HS code
292229
Category
Screening compounds

What is RU 25591?

Plain description, key identifiers and synonyms

RU 25591 is a chemical substance with the molecular formula C19H22N2O3 and a molar mass of 326.40 g/mol. Its CAS registry number is 72575-45-2. The IUPAC name is (5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CAS number
72575-45-2 CAS number cross-checked
Molecular formula
C19H22N2O3
InChIKey
ASNYPHGOFQAGQM-VQIMIIECSA-N
InChI
InChI=1S/C19H22N2O3/c1-20(2)16-8-7-14-5-3-4-6-18(14)19(13-16)24-17-11-9-15(10-12-17)21(22)23/h3-6,9-12,16,19H,7-8,13H2,1-2H3/t16-,19-/m1/s1
Canonical SMILES
CN(C)C1CCc2ccccc2C(Oc2ccc([N+](=O)[O-])cc2)C1
Isomeric SMILES
CN(C)[C@@H]1CCC2=CC=CC=C2[C@@H](C1)OC3=CC=C(C=C3)[N+](=O)[O-]

Synonyms

  • 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-, cis-
  • (5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
  • 6,7,8,9-Tetrahydro-N,N-dimethyl-5-(nitrophenyl)oxy-5H-benzocycloheptene-7-amine fumarate
  • cis N,N-dimethyl-5-[4-nitrophenoxy]-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine
  • cis N,N-dimethyl-5-[4-nitrophenoxy]-6,7,8,9-tetrahydro-benzocycloheptene-7-amine

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
326.40 g/molcalc.
Exact mass
326.163 Dacalc.
LogP (octanol/water)
3.98calc.
Topological polar surface area
55.61 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1ccc(OC2CCCCc3ccccc32)cc1

c1ccc(OC2CCCCc3ccccc32)cc1

3 rings, 18 atoms.

11 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.

RU 25591 suppliers

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RU 25591 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 RU 25591 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 RU 25591 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RU 25591, based on the data on this page

What is RU 25591?

RU 25591 is a chemical substance with the molecular formula C19H22N2O3 and a molar mass of 326.40 g/mol. Its CAS registry number is 72575-45-2. The IUPAC name is (5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.

What is the CAS number of RU 25591?

The CAS registry number of RU 25591 is 72575-45-2.

What is the molecular formula and weight of RU 25591?

The molecular formula of RU 25591 is C19H22N2O3 and its molar mass is 326.40 g/mol.

What is RU 25591 used for?

Known uses and roles of RU 25591 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is RU 25591 hazardous?

No GHS hazard classification for RU 25591 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 RU 25591?

RU 25591 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 RU 25591?

Post a free request on CompoundList and suppliers of RU 25591 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RU 25591?

Suppliers quote RU 25591 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 RU 25591

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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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