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Heterocyclic building blocks

Ismine

Also known as [6-[2-(methylamino)phenyl]-1,3-benzodioxol-5-yl]methanol, (6-(2-(methylamino)phenyl)-1,3-benzodioxol-5-yl)methanol, {6-[2-(methylamino)phenyl]-1,3-benzodioxol-5-yl}methanol

CAS 1805-78-3Formula C15H15NO3Molar mass 257.29 g/mol
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Ismine chemical structure, C15H15NO3, CAS 1805-78-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1805-78-3
Formula
C15H15NO3
Molar mass
257.29 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Ismine?

Plain description, key identifiers and synonyms

Ismine is a member of biphenyls.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[6-[2-(methylamino)phenyl]-1,3-benzodioxol-5-yl]methanol
CAS number
1805-78-3 CAS number cross-checked
Molecular formula
C15H15NO3
InChIKey
GSEKYIWUAPZIEF-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)12-7-15-14(18-9-19-15)6-10(12)8-17/h2-7,16-17H,8-9H2,1H3
SMILES (canonical and isomeric)
CNC1=CC=CC=C1C2=CC3=C(C=C2CO)OCO3

Synonyms

  • [6-[2-(methylamino)phenyl]-1,3-benzodioxol-5-yl]methanol
  • (6-(2-(methylamino)phenyl)-1,3-benzodioxol-5-yl)methanol
  • {6-[2-(methylamino)phenyl]-1,3-benzodioxol-5-yl}methanol
  • (6-(2-(Methylamino)phenyl)benzo[d][1,3]dioxol-5-yl)methanol
  • 1,3-benzodioxole-5-methanol, 6-[2-(methylamino)phenyl]-
  • {6-[2-(methylamino)phenyl]-2H-1,3-benzodioxol-5-yl}methanol

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
257.29 g/molcalc.
Exact mass
257.1052 Dacalc.
LogP (octanol/water)
2.62calc.
Topological polar surface area
50.72 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.2calc.
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, c1ccc(-c2ccc3c(c2)OCO3)cc1

c1ccc(-c2ccc3c(c2)OCO3)cc1

3 rings, 15 atoms, the 5-Phenyl-2H-1,3-benzodioxole ring system.

145 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.

Ismine suppliers

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

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Ismine price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Ismine 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 Ismine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Ismine?

Ismine is a member of biphenyls.

What is the CAS number of Ismine?

The CAS registry number of Ismine is 1805-78-3.

What is the molecular formula and weight of Ismine?

The molecular formula of Ismine is C15H15NO3 and its molar mass is 257.29 g/mol.

What is Ismine used for?

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

Is Ismine hazardous?

No GHS hazard classification for Ismine 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 Ismine?

Ismine 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 Ismine?

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

What is the price of Ismine?

Suppliers quote Ismine 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 Ismine

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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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