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Heterocyclic building blocks

Harmalol trihydrate

Also known as Harmalol, trihydrate, 3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, trihydrate, 3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, hydrate (1:3)

CAS 6027-99-2Formula C12H18N2O4Molar mass 254.29 g/mol
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Harmalol trihydrate chemical structure, C12H18N2O4, CAS 6027-99-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6027-99-2
Formula
C12H18N2O4
Molar mass
254.29 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Harmalol trihydrate?

Plain description, key identifiers and synonyms

Harmalol trihydrate is a chemical substance with the molecular formula C12H18N2O4 and a molar mass of 254.29 g/mol. Its CAS registry number is 6027-99-2. The IUPAC name is 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol, trihydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol, trihydrate
CAS number
6027-99-2
Molecular formula
C12H18N2O4
UNII
U0496FC66G
InChIKey
PMKVQXPQTXKYGD-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O.3H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;;/h2-3,6,14-15H,4-5H2,1H3;3*1H2
SMILES (canonical and isomeric)
CC1=NCCC2=C1NC3=C2C=CC(=C3)O.O.O.O

Synonyms

  • Harmalol, trihydrate
  • 3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, trihydrate
  • 3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, hydrate (1:3)
  • 3H-Pyrido[3,4-b]indol-7-ol, 4,9-dihydro-1-methyl-, hydrate (1:3)

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
254.29 g/molcalc.
Exact mass
254.1267 Dacalc.
LogP (octanol/water)
-0.24calc.
Topological polar surface area
142.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
4calc.
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, C1=NCCc2c1[nH]c1ccccc21

C1=NCCc2c1[nH]c1ccccc21

3 rings, 13 atoms, the 3H-Pyrido(3,4-b)indole, 4,9-dihydro- ring system.

49 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.

Harmalol trihydrate suppliers

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Harmalol trihydrate 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 Harmalol trihydrate is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Harmalol trihydrate, based on the data on this page

What is Harmalol trihydrate?

Harmalol trihydrate is a chemical substance with the molecular formula C12H18N2O4 and a molar mass of 254.29 g/mol. Its CAS registry number is 6027-99-2. The IUPAC name is 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol, trihydrate.

What is the CAS number of Harmalol trihydrate?

The CAS registry number of Harmalol trihydrate is 6027-99-2.

What is the molecular formula and weight of Harmalol trihydrate?

The molecular formula of Harmalol trihydrate is C12H18N2O4 and its molar mass is 254.29 g/mol.

What is Harmalol trihydrate used for?

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

Is Harmalol trihydrate hazardous?

No GHS hazard classification for Harmalol trihydrate 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 Harmalol trihydrate?

Harmalol trihydrate is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Harmalol trihydrate?

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

What is the price of Harmalol trihydrate?

Suppliers quote Harmalol trihydrate 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 Harmalol trihydrate

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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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