Theobromine

C₇H₈N₄O₂

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

CAS: 83-67-0

概要

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.

組成

元素 記号 原子 原子質量
Hydrogen H 8 1.0080
Carbon C 7 12.0110
Nitrogen N 4 14.0070
Oxygen O 2 15.9990

元素組成

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

用途

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

豆知識

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

安全性

  • ⚠ Toxic to dogs and cats

Structure

SMILES

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

特性

タイプ
organic
状態
solid
モル質量
180.16 g/mol
密度
1.5240 g/cm³
融点
357.0 °C
溶解度
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

関連化合物

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).