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Aromatic building blocks

Ayamycin

Also known as (4S,5S)-1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one, 1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one

CAS 1060709-86-5Formula C14H17Cl2NO3Molar mass 318.20 g/mol
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Ayamycin chemical structure, C14H17Cl2NO3, CAS 1060709-86-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1060709-86-5
Formula
C14H17Cl2NO3
Molar mass
318.20 g/mol
HS code
291479
Category
Aromatic building blocks

What is Ayamycin?

Plain description, key identifiers and synonyms

Ayamycin is a C-nitro compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S,5S)-1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one
CAS number
1060709-86-5
Molecular formula
C14H17Cl2NO3
InChIKey
YJUBDQRBJQTJHH-UWVGGRQHSA-N
InChI
InChI=1S/C14H17Cl2NO3/c1-3-10(8-13(18)14(15)16)9(2)11-4-6-12(7-5-11)17(19)20/h4-7,9-10,14H,3,8H2,1-2H3/t9-,10-/m0/s1
Canonical SMILES
CCC(CC(=O)C(Cl)Cl)C(C)c1ccc([N+](=O)[O-])cc1
Isomeric SMILES
CC[C@@H](CC(=O)C(Cl)Cl)[C@H](C)C1=CC=C(C=C1)[N+](=O)[O-]

Synonyms

  • (4S,5S)-1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one
  • 1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one

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
318.20 g/molcalc.
Exact mass
317.0585 Dacalc.
LogP (octanol/water)
4.49calc.
Topological polar surface area
60.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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, 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.

Ayamycin suppliers

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Ayamycin 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 Ayamycin is traded under.

HS 2914.79Indicative HS code

Halogenated, sulphonated, nitrated or nitrosated derivatives, other

World exports in 2024
$558M
−12.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China41.2%
  2. India * partner reported28.7%
  3. Germany16.7%
Top importers
  1. United States29.1%
  2. Italy9.9%
  3. Switzerland * partner reported8.8%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Ayamycin, based on the data on this page

What is Ayamycin?

Ayamycin is a C-nitro compound.

What is the CAS number of Ayamycin?

The CAS registry number of Ayamycin is 1060709-86-5.

What is the molecular formula and weight of Ayamycin?

The molecular formula of Ayamycin is C14H17Cl2NO3 and its molar mass is 318.20 g/mol.

What is Ayamycin used for?

Known uses and roles of Ayamycin include building blocks in research and laboratory.

Is Ayamycin hazardous?

No GHS hazard classification for Ayamycin 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 Ayamycin?

Ayamycin is usually classified under HS code 291479 (Halogenated, sulphonated, nitrated or nitrosated derivatives, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ayamycin?

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

What is the price of Ayamycin?

Suppliers quote Ayamycin 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 Ayamycin

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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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