Theobromine

C₇H₈N₄O₂

IUPAC: 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione

CAS: 83-67-0

Übersicht

Theobromine is the primary alkaloid in cocoa and chocolate. It is the reason chocolate is toxic to dogs, who metabolize it much more slowly than humans.

Zusammensetzung

Element Symbol Atome Atommasse
Hydrogen H 8 1,0080
Carbon C 7 12,0110
Nitrogen N 4 14,0070
Oxygen O 2 15,9990

Elementare Zusammensetzung

H
Hydrogen ×8
4,5%
C
Carbon ×7
46,7%
N
Nitrogen ×4
31,1%
O
Oxygen ×2
17,8%

Verwendung

  • • Cocoa component
  • • Mild stimulant
  • • Cough suppressant research
  • • Diuretic

Wissenswertes

  • ✦ Dogs metabolize theobromine 6x slower than humans, making chocolate potentially lethal for them

Sicherheit

  • ⚠ Toxic to dogs and cats

Structure

SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C

Eigenschaften

Typ
organic
Zustand
solid
Molmasse
180,16 g/mol
Dichte
1,5240 g/cm³
Schmelzpunkt
357,0 °C
Löslichkeit
3.3 g/L at 25°C

Molecular Descriptors

Exact Mass
180,0647
XLogP
-0,8
TPSA
67,2 Ų
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
13
Complexity
267,0

Verwandte Verbindungen

Caffeine

C₈H₁₀N₄O₂

Coumarin

C₉H₆O₂

Acetone

(CH₃)₂CO

Acrylic Acid

C₃H₄O₂

Cysteine

C₃H₇NO₂S

DDT

C₁₄H₉Cl₅

Alanine

C₃H₇NO₂

Diazepam

C₁₆H₁₃ClN₂O

Dichloromethane

CH₂Cl₂

Butane

C₄H₁₀

Frequently Asked Questions

What is Theobromine?
Theobromine (C₇H₈N₄O₂) is a organic compound with the IUPAC name 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione.
What is the molecular weight of Theobromine?
Theobromine has a molar mass of 180.16 g/mol.
What state is Theobromine at room temperature?
Theobromine is a solid at room temperature.
Is Theobromine organic or inorganic?
Theobromine is classified as an organic compound.
What elements make up Theobromine?
Theobromine (C₇H₈N₄O₂) is composed of Hydrogen (H), Carbon (C), Nitrogen (N), Oxygen (O).