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Screening compounds

Emopamil

Also known as 2-Isopropyl-5-(methylphenethylamino)-2-phenylvaleronitrile, 5-(methyl(2-phenylethyl)amino)-2-phenyl-2-(propan-2-yl)pentanenitrile

CAS 78370-13-5Formula C23H31N2+Molar mass 335.52 g/mol
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Emopamil chemical structure, C23H31N2+, CAS 78370-13-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78370-13-5
Formula
C23H31N2+
Molar mass
335.52 g/mol
HS code
292690
Category
Screening compounds

What is Emopamil?

Plain description, key identifiers and synonyms

Emopamil is a chemical substance with the molecular formula C23H31N2+ and a molar mass of 335.52 g/mol. Its CAS registry number is 78370-13-5. The IUPAC name is [(4S)-4-cyano-5-methyl-4-phenylhexyl]-methyl-(2-phenylethyl)azanium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(4S)-4-cyano-5-methyl-4-phenylhexyl]-methyl-(2-phenylethyl)azanium
CAS number
78370-13-5 CAS number cross-checked
Molecular formula
C23H31N2+
InChIKey
DWAWDSVKAUWFHC-QHCPKHFHSA-O
InChI
InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3/p+1/t23-/m0/s1
Canonical SMILES
CC(C)C(C#N)(CCC[NH+](C)CCc1ccccc1)c1ccccc1
Isomeric SMILES
CC(C)[C@](CCC[NH+](C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2

Synonyms

  • 2-Isopropyl-5-(methylphenethylamino)-2-phenylvaleronitrile
  • 5-(methyl(2-phenylethyl)amino)-2-phenyl-2-(propan-2-yl)pentanenitrile

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
335.52 g/molcalc.
Exact mass
335.2482 Dacalc.
LogP (octanol/water)
3.64calc.
Topological polar surface area
28.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
9calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
Formal charge
1calc.
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(CCCCNCCc2ccccc2)cc1

c1ccc(CCCCNCCc2ccccc2)cc1

2 rings, 19 atoms.

93 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.

Emopamil suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Emopamil price

Indicative price range per kg from live supplier offers

No published prices right now

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

Pharmacological actions

  • Calcium Channel Blockers

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 Emopamil is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Emopamil?

Emopamil is a chemical substance with the molecular formula C23H31N2+ and a molar mass of 335.52 g/mol. Its CAS registry number is 78370-13-5. The IUPAC name is [(4S)-4-cyano-5-methyl-4-phenylhexyl]-methyl-(2-phenylethyl)azanium.

What is the CAS number of Emopamil?

The CAS registry number of Emopamil is 78370-13-5.

What is the molecular formula and weight of Emopamil?

The molecular formula of Emopamil is C23H31N2+ and its molar mass is 335.52 g/mol.

What is Emopamil used for?

Known uses and roles of Emopamil include building blocks in research and laboratory, screening compounds in research and laboratory and calcium channel blockers.

Is Emopamil hazardous?

No GHS hazard classification for Emopamil 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 Emopamil?

Emopamil is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Emopamil?

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

What is the price of Emopamil?

Suppliers quote Emopamil 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 Emopamil

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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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