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Aliphatic and alicyclic building blocks

Npc201696

Also known as 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one, 1,1,4A-trimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2(1H)-one, 2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-1,1,4a-trimethyl-

CAS 4668-61-5Formula C13H20OMolar mass 192.30 g/mol
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Npc201696 chemical structure, C13H20O, CAS 4668-61-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4668-61-5
Formula
C13H20O
Molar mass
192.30 g/mol
HS code
291429
Category
Aliphatic and alicyclic building blocks

What is Npc201696?

Plain description, key identifiers and synonyms

Npc201696 is a chemical substance with the molecular formula C13H20O and a molar mass of 192.30 g/mol. Its CAS registry number is 4668-61-5. The IUPAC name is 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
CAS number
4668-61-5
Molecular formula
C13H20O
InChIKey
GRCMSFFGWKAZLY-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h6H,4-5,7-9H2,1-3H3
SMILES (canonical and isomeric)
CC1(C(=O)CCC2(C1=CCCC2)C)C

Synonyms

  • 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
  • 1,1,4A-trimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2(1H)-one
  • 2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-1,1,4a-trimethyl-
  • 1,1,4a-Trimethyl-3,4,4a,5,6,7-hexahydro-2(1H)-naphthalenone #
  • 1,1,4a-Trimethyl-3,4,4a,5,6,7-hexahydro-1H-naphthalen-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
192.30 g/molcalc.
Exact mass
192.1514 Dacalc.
LogP (octanol/water)
3.49calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
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, O=C1CCC2CCCC=C2C1

O=C1CCC2CCCC=C2C1

2 rings, 11 atoms, the Hexahydro-2(1H)-naphthalenone ring system.

3 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.

Npc201696 suppliers

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Npc201696 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 Npc201696 is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Npc201696 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc201696, based on the data on this page

What is Npc201696?

Npc201696 is a chemical substance with the molecular formula C13H20O and a molar mass of 192.30 g/mol. Its CAS registry number is 4668-61-5. The IUPAC name is 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one.

What is the CAS number of Npc201696?

The CAS registry number of Npc201696 is 4668-61-5.

What is the molecular formula and weight of Npc201696?

The molecular formula of Npc201696 is C13H20O and its molar mass is 192.30 g/mol.

What is Npc201696 used for?

Known uses and roles of Npc201696 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc201696 hazardous?

No GHS hazard classification for Npc201696 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 Npc201696?

Npc201696 is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc201696?

Post a free request on CompoundList and suppliers of Npc201696 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc201696?

Suppliers quote Npc201696 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 Npc201696

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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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