2-Amino-1-{(3S)-3-methyl-4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepan-1-yl}ethanone
[CAS# 913844-45-8]

Identification

• Name: 2-Amino-1-{(3S)-3-methyl-4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepan-1-yl}ethanone
• Synonyms: "2-amino-1-[(3S)-hexahydro-3-methyl-4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepin-1-yl]-ethanone, dihydrochloride"; (S)-Glycyl-H-1152 (hydrochloride); 2-amino-1-[(3S)-hexahydro-3-methyl-4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepin-1-yl]-ethanone, dihydrochloride
• Molecular Formula: C₁₈H₂₄N₄O₃S
• Molecular Weight: 376.47
• CAS Registry Number: 913844-45-8
• SMILES: O=S(=O)(c2c1c(cncc1ccc2)C)N3[C@H](CN(C(=O)CN)CCC3)C
• InChI: 1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1
• InChIKey: CMKMGFAUKPAOMG-AWEZNQCLSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 622.144°C at 760 mmHg (Cal.)
• Flash point: 330.061°C (Cal.)
• Refractive index: 1.616 (Cal.)