7-Benzyl-8-(2-Butylaminoethylamino)-1,3-Dimethylpurine-2,6-Dione Hydrochloride
[CAS# 130187-60-9]

Identification

• Name: 7-Benzyl-8-(2-Butylaminoethylamino)-1,3-Dimethylpurine-2,6-Dione Hydrochloride
• Synonyms: 7-Benzyl-8-(2-Butylaminoethylamino)-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 7-Benzyl-8-(2-Butylaminoethylamino)-1,3-Dimethyl-Xanthine Hydrochloride; 8-(2-Butylaminoethylamino)-1,3-Dimethyl-7-(Phenylmethyl)Purine-2,6-Dione Hydrochloride
• Molecular Formula: C₂₀H₂₉ClN₆O₂
• Molecular Weight: 420.94
• CAS Registry Number: 130187-60-9
• SMILES: [H+].C3=C(C[N]2C1=C(N(C(=O)N(C1=O)C)C)N=C2NCCNCCCC)C=CC=C3.[Cl-]
• InChI: 1S/C20H28N6O2.ClH/c1-4-5-11-21-12-13-22-19-23-17-16(18(27)25(3)20(28)24(17)2)26(19)14-15-9-7-6-8-10-15;/h6-10,21H,4-5,11-14H2,1-3H3,(H,22,23);1H
• InChIKey: HQGQMQAPAZRMQW-UHFFFAOYSA-N

Properties

• Boiling point: 588.3°C at 760 mmHg (Cal.)
• Flash point: 309.6°C (Cal.)