(2R,5S)-5-Amino-2-benzyl-8-[(diaminomethylene)amino]-4-oxooctanoic acid hydrochloride (1:1)
[CAS# 85713-14-0]

Identification

• Name: (2R,5S)-5-Amino-2-benzyl-8-[(diaminomethylene)amino]-4-oxooctanoic acid hydrochloride (1:1)
• Synonyms: 5-Amino-8-guanidino-4-oxo-2-phenylmethyloctanoic acid hydrochloride; Arphamenine A
• Molecular Formula: C₁₆H₂₅ClN₄O₃
• Molecular Weight: 356.85
• CAS Registry Number: 85713-14-0
• SMILES: Cl.O=C([C@@H](N)CCC/N=C(\N)N)C[C@H](C(=O)O)Cc1ccccc1
• InChI: 1S/C16H24N4O3.ClH/c17-13(7-4-8-20-16(18)19)14(21)10-12(15(22)23)9-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,17H2,(H,22,23)(H4,18,19,20);1H/t12-,13+;/m1./s1
• InChIKey: HMGUILIKOXYYFP-KZCZEQIWSA-N

Properties

• Boiling point: 589.1°C at 760 mmHg (Cal.)
• Flash point: 310.1°C (Cal.)