CompoundList
Sign in
Impurities and reference standards

Caffeidine

Also known as 1H-Imidazole-5-carboxamide, N,1-dimethyl-4-(methylamino)-, N,1-dimethyl-4-(methylamino)-1H-imidazole-5-carboxamide, Caffeine EP Impurity E

CAS 20041-90-1Formula C7H12N4OMolar mass 168.20 g/mol
Get quotes Safety data
Caffeidine chemical structure, C7H12N4O, CAS 20041-90-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20041-90-1
Formula
C7H12N4O
Molar mass
168.20 g/mol
HS code
293329
Category
Impurities and reference standards

What is Caffeidine?

Plain description, key identifiers and synonyms

Caffeidine is a chemical substance with the molecular formula C7H12N4O and a molar mass of 168.20 g/mol. Its CAS registry number is 20041-90-1. The IUPAC name is N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide
CAS number
20041-90-1 CAS number cross-checked
Molecular formula
C7H12N4O
UNII
VT2A7LG4EQ
MDL number
MFCD04037419, MFCD28138269
InChIKey
FNYXJOYPHLKLRW-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N4O/c1-8-6-5(7(12)9-2)11(3)4-10-6/h4,8H,1-3H3,(H,9,12)
SMILES (canonical and isomeric)
CNC1=C(N(C=N1)C)C(=O)NC

Synonyms

  • 1H-Imidazole-5-carboxamide, N,1-dimethyl-4-(methylamino)-
  • N,1-dimethyl-4-(methylamino)-1H-imidazole-5-carboxamide
  • Caffeine EP Impurity E
  • N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide
  • Caffeine impurity e
  • Caffeine monohydrate impurity e
  • Caffeine Imp. E
  • imidazole, 1-methyl-4-N-methylamino-5-N-methylaminocarbonyl-
  • Imidazole-5-carboxamide, n,1-dimethyl-4-(methylamino)-

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
168.20 g/molcalc.
Exact mass
168.1011 Dacalc.
LogP (octanol/water)
-0.18calc.
Topological polar surface area
58.95 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.43calc.
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, c1c[nH]cn1

c1c[nH]cn1

1 ring, 5 atoms, the Imidazole ring system.

14,448 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.

Caffeidine suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Caffeidine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Caffeidine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Caffeidine is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Caffeidine?

Caffeidine is a chemical substance with the molecular formula C7H12N4O and a molar mass of 168.20 g/mol. Its CAS registry number is 20041-90-1. The IUPAC name is N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide.

What is the CAS number of Caffeidine?

The CAS registry number of Caffeidine is 20041-90-1.

What is the molecular formula and weight of Caffeidine?

The molecular formula of Caffeidine is C7H12N4O and its molar mass is 168.20 g/mol.

Is Caffeidine hazardous?

No GHS hazard classification for Caffeidine 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 Caffeidine?

Caffeidine is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Caffeidine?

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

What is the price of Caffeidine?

Suppliers quote Caffeidine 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 Caffeidine

Get quotes for Caffeidine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Caffeidine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Caffeidine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/caffeidine-20041-90-1" title="Caffeidine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Impurities and reference standards or HS code 293329

Price on request
Free quotes, contact stays private
Get quotes