Theobromine

C₇H₈N₄O₂

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

CAS: 83-67-0

Overview

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.

Composition

Element Symbol Atoms Atomic Mass
Hydrogen H 8 1.0080
Carbon C 7 12.0110
Nitrogen N 4 14.0070
Oxygen O 2 15.9990

Elemental Composition

H
Hydrogen ×8
4.5%
C
Carbon ×7
46.7%
N
Nitrogen ×4
31.1%
O
Oxygen ×2
17.8%

Uses

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

Fun Facts

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

Safety

  • ⚠ Toxic to dogs and cats

Structure

SMILES

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

Properties

Type
organic
State
solid
Molar Mass
180.16 g/mol
Density
1.5240 g/cm³
Melting Point
357.0 °C
Solubility
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

Related Compounds

1,2-Dichloroethane

C₂H₄Cl₂

1,3-Butadiene

C₄H₆

1,4-Dioxane

C₄H₈O₂

1-Butanol

C₄H₁₀O

2-Propanol

C₃H₈O

Acetaldehyde

CH₃CHO

Acetamide

C₂H₅NO

Acetic Anhydride

C₄H₆O₃

Acetone

(CH₃)₂CO

Acetonitrile

C₂H₃N

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).