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Heterocyclic building blocks

Ambuphylline

Also known as Bufylline, Butaphyllamine, Theophylline aminoisobutanol

CAS 5634-34-4Formula C11H19N5O3Molar mass 269.31 g/molEC 227-077-5
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Ambuphylline chemical structure, C11H19N5O3, CAS 5634-34-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5634-34-4
Formula
C11H19N5O3
Molar mass
269.31 g/mol
EC number
227-077-5
HS code
293959
Category
Heterocyclic building blocks

What is Ambuphylline?

Plain description, key identifiers and synonyms

Ambuphylline is a chemical substance with the molecular formula C11H19N5O3 and a molar mass of 269.31 g/mol. Its CAS registry number is 5634-34-4. The IUPAC name is 2-amino-2-methylpropan-1-ol, 1,3-dimethyl-7H-purine-2,6-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-2-methylpropan-1-ol, 1,3-dimethyl-7H-purine-2,6-dione
CAS number
5634-34-4 CAS number cross-checked
EC number
227-077-5
Molecular formula
C11H19N5O3
UNII
VOU5V0B772
InChIKey
SEIRRUDMPNNSCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3
SMILES (canonical and isomeric)
CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC=N2

Synonyms

  • Bufylline
  • Butaphyllamine
  • Theophylline aminoisobutanol
  • theophylline cpd with 2-amino-2-methyl-1-propanol
  • 1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 2-amino-2-methylpropan-1-ol
  • Theophylline compound with 2-amino-2-methyl-1-propanol (1:1)
  • 2-amino-2-methylpropan-1-ol, 1,3-dimethyl-7H-purine-2,6-dione
  • Ambuphylline (USAN)
  • Buthoid
  • Bufylline (BAN)
  • Butaphyllamine (TN)
  • 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-amino-2-methylpropan-1-ol (1:1)
  • 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione--2-amino-2-methylpropan-1-ol (1/1)

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
269.31 g/molcalc.
Exact mass
269.1488 Dacalc.
LogP (octanol/water)
-1.32calc.
Topological polar surface area
118.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
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, O=c1[nH]c(=O)c2[nH]cnc2[nH]1

O=c1[nH]c(=O)c2[nH]cnc2[nH]1

2 rings, 11 atoms, the Xanthine ring system.

1,880 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.

Ambuphylline suppliers

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

All 5 suppliers
5 of 5 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 3 countries

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Ambuphylline 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

Pharmacological actions

  • Bronchodilator Agents
  • Vasodilator Agents

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 Ambuphylline is traded under.

HS 2939.59Indicative HS code

Theophylline and aminophylline (theophylline-ethylenediamine) and their derivatives…

World exports in 2024
$56M
+6.9% vs 2023, imports $62.2M
2019 to 2024
Top exporters
  1. India * partner reported46.2%
  2. China22.9%
  3. Italy14.5%
Top importers
  1. United States10.4%
  2. Italy9.2%
  3. South Korea7.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ambuphylline?

Ambuphylline is a chemical substance with the molecular formula C11H19N5O3 and a molar mass of 269.31 g/mol. Its CAS registry number is 5634-34-4. The IUPAC name is 2-amino-2-methylpropan-1-ol, 1,3-dimethyl-7H-purine-2,6-dione.

What is the CAS number of Ambuphylline?

The CAS registry number of Ambuphylline is 5634-34-4.

What is the molecular formula and weight of Ambuphylline?

The molecular formula of Ambuphylline is C11H19N5O3 and its molar mass is 269.31 g/mol.

What is Ambuphylline used for?

Known uses and roles of Ambuphylline include building blocks in research and laboratory, screening compounds in research and laboratory, bronchodilator agents and vasodilator agents.

Is Ambuphylline hazardous?

No GHS hazard classification for Ambuphylline 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 Ambuphylline?

Ambuphylline is usually classified under HS code 293959 (Theophylline and aminophylline (theophylline-ethylenediamine) and their derivatives…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ambuphylline?

CompoundList lists 5 suppliers of Ambuphylline in India, Australia and Netherlands. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ambuphylline in India?

3 suppliers in India list Ambuphylline on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Ambuphylline?

Suppliers quote Ambuphylline 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 Ambuphylline

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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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