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Screening compounds

Abamine

Also known as Methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-[(4-fluorophenyl)methyl]amino]acetate, [[(E)-3-(3,4-Dimethoxy-phenyl)-allyl]-(4-fluoro-benzyl)-amino]-acetic acid methyl ester, methyl {[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl](4-fluorobenzyl)amino}acetate

CAS 729612-64-0Formula C21H24FNO4Molar mass 373.42 g/mol
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Abamine chemical structure, C21H24FNO4, CAS 729612-64-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
729612-64-0
Formula
C21H24FNO4
Molar mass
373.42 g/mol
HS code
292250
Category
Screening compounds

What is Abamine?

Plain description, key identifiers and synonyms

Abamine is an amino acid ester that is methyl glycine in which one of hydrogens attached to the nitrogen is remplaced by a 4-fluorobenzyl group while the other is replaced by a 3,4-dimethoxycinnamyl group. It is a glycine derivative, a methyl ester, an alpha-amino acid ester, a tertiary amino compound and a member of monofluorobenzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-[(4-fluorophenyl)methyl]amino]acetate
CAS number
729612-64-0
Molecular formula
C21H24FNO4
InChIKey
MLDWSQWMXACHHN-SNAWJCMRSA-N
InChI
InChI=1S/C21H24FNO4/c1-25-19-11-8-16(13-20(19)26-2)5-4-12-23(15-21(24)27-3)14-17-6-9-18(22)10-7-17/h4-11,13H,12,14-15H2,1-3H3/b5-4+
Canonical SMILES
COC(=O)CN(CC=Cc1ccc(OC)c(OC)c1)Cc1ccc(F)cc1
Isomeric SMILES
COC1=C(C=C(C=C1)/C=C/CN(CC2=CC=C(C=C2)F)CC(=O)OC)OC

Synonyms

  • Methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-[(4-fluorophenyl)methyl]amino]acetate
  • [[(E)-3-(3,4-Dimethoxy-phenyl)-allyl]-(4-fluoro-benzyl)-amino]-acetic acid methyl ester
  • methyl {[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl](4-fluorobenzyl)amino}acetate
  • methyl N-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]-N-(4-fluorobenzyl)glycinate
  • (E)-Methyl 2-((3-(3,4-dimethoxyphenyl)allyl)(4-fluorobenzyl)amino)acetate
  • methyl (E)-N-(3-(3,4-dimethoxyphenyl)allyl)-N-(4-fluorobenzyl)glycinate
  • Glycine, N-[(2E)-3-(3,4-dimethoxyphenyl)-2-propen-1-yl]-N-[(4-fluorophenyl)methyl]-, methyl ester

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
373.42 g/molcalc.
Exact mass
373.1689 Dacalc.
LogP (octanol/water)
3.53calc.
Topological polar surface area
48 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
9calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
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, C(=Cc1ccccc1)CNCc1ccccc1

C(=Cc1ccccc1)CNCc1ccccc1

2 rings, 17 atoms.

22 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.

Abamine suppliers

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Abamine 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 Abamine is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Abamine?

Abamine is an amino acid ester that is methyl glycine in which one of hydrogens attached to the nitrogen is remplaced by a 4-fluorobenzyl group while the other is replaced by a 3,4-dimethoxycinnamyl group.

What is the CAS number of Abamine?

The CAS registry number of Abamine is 729612-64-0.

What is the molecular formula and weight of Abamine?

The molecular formula of Abamine is C21H24FNO4 and its molar mass is 373.42 g/mol.

What is Abamine used for?

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

Is Abamine hazardous?

No GHS hazard classification for Abamine 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 Abamine?

Abamine is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Abamine?

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What is the price of Abamine?

Suppliers quote Abamine 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 Abamine

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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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