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Heterocyclic building blocks

Trehalamine

Also known as (3aR,4R,5S,6S,6aS)-2-Amino-4-(hydroxymethyl)-3,-5,6,6a-tetrahydro-4H-cyclopent(d)oxazole-4,5,6-triol, (3aR,4R,5S,6S,6aS)-2-amino-4-(hydroxymethyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol, 4H-Cyclopentoxazole-4,5,6-triol, 2-amino-3a,5,6,6a-tetrahydro-4-(hydroxymethyl)-, (3aR-(3aalpha,4alpha,5beta,6alpha,6aalpha))-

CAS 144811-33-6Formula C7H12N2O5Molar mass 204.18 g/mol
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Trehalamine chemical structure, C7H12N2O5, CAS 144811-33-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
144811-33-6
Formula
C7H12N2O5
Molar mass
204.18 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Trehalamine?

Plain description, key identifiers and synonyms

Trehalamine is an oxazole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3aR,4R,5S,6S,6aS)-2-amino-4-(hydroxymethyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
CAS number
144811-33-6
Molecular formula
C7H12N2O5
InChIKey
BZVATLSLUPKXJY-PUKYJHRVSA-N
InChI
InChI=1S/C7H12N2O5/c8-6-9-4-3(14-6)2(11)5(12)7(4,13)1-10/h2-5,10-13H,1H2,(H2,8,9)/t2-,3-,4-,5+,7+/m1/s1
Canonical SMILES
NC1=NC2C(O1)C(O)C(O)C2(O)CO
Isomeric SMILES
C([C@@]1([C@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=N2)N)O)O

Synonyms

  • (3aR,4R,5S,6S,6aS)-2-Amino-4-(hydroxymethyl)-3,-5,6,6a-tetrahydro-4H-cyclopent(d)oxazole-4,5,6-triol
  • (3aR,4R,5S,6S,6aS)-2-amino-4-(hydroxymethyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
  • 4H-Cyclopentoxazole-4,5,6-triol, 2-amino-3a,5,6,6a-tetrahydro-4-(hydroxymethyl)-, (3aR-(3aalpha,4alpha,5beta,6alpha,6aalpha))-
  • (3aR,4R,5S,6S,6aS)-2-amino-4-(hydroxymethyl)-3a,5,6,6a-tetrahydrocyclopenta(d)(1,3)oxazole-4,5,6-triol
  • 4H-Cyclopentoxazole-4,5,6-triol, 2-amino-3a,5,6,6a-tetrahydrol-4-(hydroxymethyl)-, (3aR-(3aalpha,4alpha,5beta,6alpha,6aalpha))-

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
204.18 g/molcalc.
Exact mass
204.0746 Dacalc.
LogP (octanol/water)
-3.47calc.
Topological polar surface area
128.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
1calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
5calc.
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=NC2CCCC2O1

C1=NC2CCCC2O1

2 rings, 8 atoms.

2 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.

Trehalamine suppliers

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Trehalamine 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 Trehalamine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Trehalamine?

Trehalamine is an oxazole.

What is the CAS number of Trehalamine?

The CAS registry number of Trehalamine is 144811-33-6.

What is the molecular formula and weight of Trehalamine?

The molecular formula of Trehalamine is C7H12N2O5 and its molar mass is 204.18 g/mol.

What is Trehalamine used for?

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

Is Trehalamine hazardous?

No GHS hazard classification for Trehalamine 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 Trehalamine?

Trehalamine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trehalamine?

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What is the price of Trehalamine?

Suppliers quote Trehalamine 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 Trehalamine

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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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