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Screening compounds

Hydroxybencyclane

Also known as Cycloheptanol, 4-(3-(dimethylamino)propoxy)-4-(phenylmethyl)-, cis-, 1-Benzyl-1-(3-N,N-dimethylaminopropoxy)-4-hydroxycycloheptane, (1R,4R)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol

CAS 71491-68-4Formula C19H31NO2Molar mass 305.46 g/mol
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Hydroxybencyclane chemical structure, C19H31NO2, CAS 71491-68-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71491-68-4
Formula
C19H31NO2
Molar mass
305.46 g/mol
HS code
292219
Category
Screening compounds

What is Hydroxybencyclane?

Plain description, key identifiers and synonyms

Hydroxybencyclane is a chemical substance with the molecular formula C19H31NO2 and a molar mass of 305.46 g/mol. Its CAS registry number is 71491-68-4. The IUPAC name is cis-(1R,4R)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
cis-(1R,4R)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol
CAS number
71491-68-4 CAS number cross-checked
Molecular formula
C19H31NO2
InChIKey
UOGZUHVCOKDWIM-RTBURBONSA-N
InChI
InChI=1S/C19H31NO2/c1-20(2)14-7-15-22-19(12-6-10-18(21)11-13-19)16-17-8-4-3-5-9-17/h3-5,8-9,18,21H,6-7,10-16H2,1-2H3/t18-,19-/m1/s1
Canonical SMILES
CN(C)CCCOC1(Cc2ccccc2)CCCC(O)CC1
Isomeric SMILES
CN(C)CCCO[C@@]1(CCC[C@H](CC1)O)CC2=CC=CC=C2

Synonyms

  • Cycloheptanol, 4-(3-(dimethylamino)propoxy)-4-(phenylmethyl)-, cis-
  • 1-Benzyl-1-(3-N,N-dimethylaminopropoxy)-4-hydroxycycloheptane
  • (1R,4R)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol
  • 4-Benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol

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
305.46 g/molcalc.
Exact mass
305.2355 Dacalc.
LogP (octanol/water)
3.26calc.
Topological polar surface area
32.7 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
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(CC2CCCCCC2)cc1

c1ccc(CC2CCCCCC2)cc1

2 rings, 14 atoms, the Benzylcycloheptane ring system.

45 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.

Hydroxybencyclane suppliers

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Hydroxybencyclane 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 Hydroxybencyclane is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Hydroxybencyclane?

Hydroxybencyclane is a chemical substance with the molecular formula C19H31NO2 and a molar mass of 305.46 g/mol. Its CAS registry number is 71491-68-4. The IUPAC name is cis-(1R,4R)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptan-1-ol.

What is the CAS number of Hydroxybencyclane?

The CAS registry number of Hydroxybencyclane is 71491-68-4.

What is the molecular formula and weight of Hydroxybencyclane?

The molecular formula of Hydroxybencyclane is C19H31NO2 and its molar mass is 305.46 g/mol.

What is Hydroxybencyclane used for?

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

Is Hydroxybencyclane hazardous?

No GHS hazard classification for Hydroxybencyclane 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 Hydroxybencyclane?

Hydroxybencyclane is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hydroxybencyclane?

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

What is the price of Hydroxybencyclane?

Suppliers quote Hydroxybencyclane 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 Hydroxybencyclane

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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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