4,8-Diamino-1-phenyloctan-3-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,8-Diamino-1-phenyloctan-3-one
• 英文别名: 4,8-diamino-1-phenyloctan-3-one
• 化学式: C₁₄H₂₂N₂O
• 分子量: 234.34
• InChiKey: LIFLMVCRMZQSJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• BIODEGRADABLE POLYESTERAMIDE COPOLYMERS FOR DRUG DELIVERY
  申请人：Draaisma Guy

  公开号：US20140220099A1

  公开（公告）日：2014-08-07

  The present invention relates to a poly (ester amide) (PEA) having a chemical formula described by structural formula (IV), wherein m+p varies from 0.9-0.1 and q varies from 0.1 to 0.9 m+p+q=1 whereby m or p could be 0 n is about 5 to about 300; (pref. 50-200) R 1 is independently selected from the group consisting of (C 2 -C 20 ) alkylene, (C 2 -C 20 ) alkenylene, —(R 9 —CO—O—R 10 —O—CO—R 9 )—, —CHR 11 —O—CO—R 12 —COOCR 11 — and combinations thereof; R 3 and R 4 in a single backbone unit m or p, respectively, are independently selected from the group consisting of hydrogen, (C 1 -C 6 )alkyl, (C 2 -C 6 )alkenyl, (C 2 -C 6 )alkynyl, (C 6 -C 10 )aryl, (C 1 -C 6 )alkyl, —(CH 2 )SH, —(CH 2 ) 2 S(CH 3 ), —CH 2 OH, —CH(OH)CH 3 , —(CH 2 ) 4 NH 3 +, —(CH 2 ) 3 NHC(═NH 2 +)NH 2 , —CH 2 COOH, —(CH 2 )COOH, —CH 2 —CO—NH 2 , —CH 2 CH 2 —CO—NH 2 , —CH 2 CH 2 COOH, CH 3 —CH 2 —CH(CH 3 )—, (CH 3 ) 2 —CH—CH 2 —, H 2 N—(CH 2 ) 4 —, Ph-CH 2 —, CH═C—CH 2 —, HO-p-Ph-CH 2 —, (CH 3 ) 2 —CH—, Ph-NH—, NH—(CH 2 ) 3 —C—, NH—CH═N—CH═C—CH 2 —. R 5 is selected from the group consisting of (C 2 -C 20 )alkylene, (C 2 -C 20 )alkenylene, alkyloxy or oligoethyleneglycol R 6 is selected from bicyclic-fragments of 1,4:3,6-dianhydrohexitols of structural formula (III); R 7 is selected from the group consisting of (C 6 -C 10 )aryl (C 1 -C 6 )alkyl R 8 is (CH2)4-; R 9 or R 10 are independently selected from C 2 -C 12 alkylene or C 2 -C 12 alkenylene. R 11 or R 12 are independently selected from H, methyl, C 2 -C 12 alkylene or C 2 -C 12 alkenylene whereby a is at least 0.05 and b is at least 0.05 and a+b=1.