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Aromatic building blocks

EXP-561 monohydrate

Also known as 4-Phenylbicyclo(2.2.2)octan-1-amine hydrochloride monohydrate, Bicyclo(2.2.2)octan-1-amine, 4-phenyl-, hydrochloride, monohydrate, 4-Phenyl-bicyclo(2.2.2)oct-1-yl-amine hydrochloride monohydrate

CAS 16142-83-9Formula C14H22ClNOMolar mass 255.79 g/mol
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EXP-561 monohydrate chemical structure, C14H22ClNO, CAS 16142-83-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16142-83-9
Formula
C14H22ClNO
Molar mass
255.79 g/mol
HS code
292149
Category
Aromatic building blocks

What is EXP-561 monohydrate?

Plain description, key identifiers and synonyms

EXP-561 monohydrate is a chemical substance with the molecular formula C14H22ClNO and a molar mass of 255.79 g/mol. Its CAS registry number is 16142-83-9. The IUPAC name is 4-phenylbicyclo[2.2.2]octan-1-amine, hydrate, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-phenylbicyclo[2.2.2]octan-1-amine, hydrate, hydrochloride
CAS number
16142-83-9
Molecular formula
C14H22ClNO
UNII
HZH88RDY6L
InChIKey
NLXFYKZUFJZKCP-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N.ClH.H2O/c15-14-9-6-13(7-10-14,8-11-14)12-4-2-1-3-5-12;;/h1-5H,6-11,15H2;1H;1H2
SMILES (canonical and isomeric)
C1CC2(CCC1(CC2)C3=CC=CC=C3)N.O.Cl

Synonyms

  • 4-Phenylbicyclo(2.2.2)octan-1-amine hydrochloride monohydrate
  • Bicyclo(2.2.2)octan-1-amine, 4-phenyl-, hydrochloride, monohydrate
  • 4-Phenyl-bicyclo(2.2.2)oct-1-yl-amine hydrochloride monohydrate
  • Bicyclo(2.2.2)octan-1-amine, 4-phenyl-, hydrochloride, hydrate (1:1:1)

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
255.79 g/molcalc.
Exact mass
255.139 Dacalc.
LogP (octanol/water)
2.59calc.
Topological polar surface area
57.52 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
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(C23CCC(CC2)CC3)cc1

c1ccc(C23CCC(CC2)CC3)cc1

4 rings, 14 atoms.

74 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.

EXP-561 monohydrate suppliers

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EXP-561 monohydrate 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 EXP-561 monohydrate is traded under.

HS 2921.49Indicative HS code

Aromatic monoamines and their derivatives, salts thereof, other

World exports in 2024
$1.14B
+5.6% vs 2023, imports $1.06B
2019 to 2024
Top exporters
  1. Germany23.3%
  2. China19.4%
  3. Singapore14.6%
Top importers
  1. Belgium15.9%
  2. South Korea15.0%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for EXP-561 monohydrate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about EXP-561 monohydrate, based on the data on this page

What is EXP-561 monohydrate?

EXP-561 monohydrate is a chemical substance with the molecular formula C14H22ClNO and a molar mass of 255.79 g/mol. Its CAS registry number is 16142-83-9. The IUPAC name is 4-phenylbicyclo[2.2.2]octan-1-amine, hydrate, hydrochloride.

What is the CAS number of EXP-561 monohydrate?

The CAS registry number of EXP-561 monohydrate is 16142-83-9.

What is the molecular formula and weight of EXP-561 monohydrate?

The molecular formula of EXP-561 monohydrate is C14H22ClNO and its molar mass is 255.79 g/mol.

What is EXP-561 monohydrate used for?

Known uses and roles of EXP-561 monohydrate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is EXP-561 monohydrate hazardous?

No GHS hazard classification for EXP-561 monohydrate 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 EXP-561 monohydrate?

EXP-561 monohydrate is usually classified under HS code 292149 (Aromatic monoamines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy EXP-561 monohydrate?

Post a free request on CompoundList and suppliers of EXP-561 monohydrate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of EXP-561 monohydrate?

Suppliers quote EXP-561 monohydrate 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 EXP-561 monohydrate

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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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