1-n-Hexyltheobromine, 98+%

Description

CAS: 1028-33-7 | C13H20N4O2 | 264.33 g/mol

A vasodilator

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

• CAS: 1028-33-7
• Melting Point: 80°C to 81°C
• Molecular Formula: C13H20N4O2
• Quantity: 250 mg
• MDL Number: MFCD00041424
• Beilstein: 270632
• Merck Index: 14,7127
• Synonym: pentifylline, 1-hexyltheobromine, 1-n-hexyltheobromine, hexyltheobromine, cosaldon, pentifyllin, cosadon, theobromine, 1-hexyl, sk 7 pharmaceutical, 1-hexyl-3,7-dimethylxanthine
• InChI Key: MRWQRJMESRRJJB-UHFFFAOYSA-N
• SMILES: CCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O
• IUPAC Name: 1-hexyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
• Molecular Weight (g/mol): 264.33
• PubChem CID: 70569
• Formula Weight: 264.33
• Percent Purity: ≥98%
• Chemical Name or Material: 1-n-Hexyltheobromine

Safety and Handling

Hazard Category	Warning
Hazard Statement	GHS H Statement H302 Harmful if swallowed.
Precautionary Statement	GHS P Statement P264-P270-P301+P312-P330-P501a Wash thoroughly after handling. Do not eat, drink or smoke when using this product. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. Dispose of contents/container in accordance with local/regional/national/international regulations.
EINECSNumber	213-842-0
RTECSNumber	UO8450000
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only