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Heterocyclic building blocks

Exepanol

Also known as Exepanolum, 2,3,4,5,-tetrahydro-3-(methylamino)-1-benzoxepin-5-ol, (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

CAS 77416-65-0Formula C11H15NO2Molar mass 193.25 g/mol
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Exepanol chemical structure, C11H15NO2, CAS 77416-65-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77416-65-0
Formula
C11H15NO2
Molar mass
193.25 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Exepanol?

Plain description, key identifiers and synonyms

Exepanol is a chemical substance with the molecular formula C11H15NO2 and a molar mass of 193.25 g/mol. Its CAS registry number is 77416-65-0. The IUPAC name is (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CAS number
77416-65-0 CAS number cross-checked
Molecular formula
C11H15NO2
UNII
5CF9F84B3A
InChIKey
JWUPWOYNGNTOKD-WCBMZHEXSA-N
InChI
InChI=1S/C11H15NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-5,8,10,12-13H,6-7H2,1H3/t8-,10+/m0/s1
Canonical SMILES
CNC1COc2ccccc2C(O)C1
Isomeric SMILES
CN[C@H]1C[C@H](C2=CC=CC=C2OC1)O

Synonyms

  • Exepanolum
  • 2,3,4,5,-tetrahydro-3-(methylamino)-1-benzoxepin-5-ol
  • (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
  • rac-(3R,5S)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
  • (+-)-cis-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol
  • 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, cis-(+-)-
  • cis-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol
  • (+/-)-Cis-2,3,4,5-tetrahydro-3-(methylamino)-1-benzoxepin-5-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
193.25 g/molcalc.
Exact mass
193.1103 Dacalc.
LogP (octanol/water)
1.09calc.
Topological polar surface area
41.49 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, c1ccc2c(c1)CCCCO2

c1ccc2c(c1)CCCCO2

2 rings, 11 atoms, the 2,3,4,5-Tetrahydro-1-benzoxepine ring system.

155 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.

Exepanol suppliers

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Exepanol price

Indicative price range per kg from live supplier offers

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

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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 Exepanol is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Exepanol?

Exepanol is a chemical substance with the molecular formula C11H15NO2 and a molar mass of 193.25 g/mol. Its CAS registry number is 77416-65-0. The IUPAC name is (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.

What is the CAS number of Exepanol?

The CAS registry number of Exepanol is 77416-65-0.

What is the molecular formula and weight of Exepanol?

The molecular formula of Exepanol is C11H15NO2 and its molar mass is 193.25 g/mol.

What is Exepanol used for?

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

Is Exepanol hazardous?

No GHS hazard classification for Exepanol 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 Exepanol?

Exepanol is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Exepanol?

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

What is the price of Exepanol?

Suppliers quote Exepanol 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 Exepanol

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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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