Benzylaminododecylguanine
[CAS# 97540-03-9]

Identification

• Name: Benzylaminododecylguanine
• Synonyms: 2-Amino-9-[12-(Phenylmethylamino)Dodecyl]-3H-Purin-6-One Hydrochloride; Badgh; Benzylaminododecylguanine
• Molecular Formula: C₂₄H₃₇ClN₆O
• Molecular Weight: 461.05
• CAS Registry Number: 97540-03-9
• SMILES: [H+].C1=NC3=C([N]1CCCCCCCCCCCCNCC2=CC=CC=C2)NC(=NC3=O)N.[Cl-]
• InChI: 1S/C24H36N6O.ClH/c25-24-28-22-21(23(31)29-24)27-19-30(22)17-13-8-6-4-2-1-3-5-7-12-16-26-18-20-14-10-9-11-15-20;/h9-11,14-15,19,26H,1-8,12-13,16-18H2,(H3,25,28,29,31);1H
• InChIKey: OPABBEXGXXWVSN-UHFFFAOYSA-N

Properties

• Boiling point: 638.9°C at 760 mmHg (Cal.)
• Flash point: 340.2°C (Cal.)