21-Amino-6,9,18-Tris(2-Aminoethyl)-15-Benzyl-3-(1-Hydroxyethyl)-12-(2-Methylpropyl)-1,4,7,10,13,16,19-Heptazacyclotricosane-2,5,8,11,14,17,20-Heptone sulfate
[CAS# 142563-40-4]

Identification

• Name: 21-Amino-6,9,18-Tris(2-Aminoethyl)-15-Benzyl-3-(1-Hydroxyethyl)-12-(2-Methylpropyl)-1,4,7,10,13,16,19-Heptazacyclotricosane-2,5,8,11,14,17,20-Heptone sulfate
• Synonyms: 21-Amino-6,9,18-Tris(2-Aminoethyl)-15-Benzyl-3-(1-Hydroxyethyl)-12-Isobutyl-1,4,7,10,13,16,19-Heptazacyclotricosane-2,5,8,11,14,17,20-Heptone; Sulfuric Acid; 21-Amino-6,9,18-Tris(2-Aminoethyl)-3-(1-Hydroxyethyl)-12-(2-Methylpropyl)-15-(Phenylmethyl)-1,4,7,10,13,16,19-Heptazacyclotricosane-2,5,8,11,14,17,20-Heptone; Sulfuric Acid; Pbhp
• Molecular Formula: C₃₅H₆₁N₁₁O₁₂S
• Molecular Weight: 859.99
• CAS Registry Number: 142563-40-4
• SMILES: O=[S](=O)(O)O.C2=C(CC1NC(=O)C(NC(=O)C(N)CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CCN)CCN)C(O)C)CCN)C=CC=C2
• InChI: 1S/C35H59N11O8.H2O4S/c1-19(2)17-26-33(52)43-24(10-14-37)30(49)42-25(11-15-38)32(51)46-28(20(3)47)35(54)40-16-12-22(39)29(48)41-23(9-13-36)31(50)45-27(34(53)44-26)18-21-7-5-4-6-8-21;1-5(2,3)4/h4-8,19-20,22-28,47H,9-18,36-39H2,1-3H3,(H,40,54)(H,41,48)(H,42,49)(H,43,52)(H,44,53)(H,45,50)(H,46,51);(H2,1,2,3,4)
• InChIKey: OEJLXAYYUXMOTN-UHFFFAOYSA-N

Properties

• Boiling point: 1231.3°C at 760 mmHg (Cal.)
• Flash point: 698.5°C (Cal.)