5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺 | 203515-86-0
5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺
5-amino-N1,N3-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide hydrochloride
203515-86-0
C14H22ClN3O6
363.7940
名称和标识符
MDL |
MFCD00137747 |
InChIKey |
GNBBCFFLJFKAHB-UHFFFAOYSA-N |
Inchi |
1S/C14H21N3O6.ClH/c15-10-2-8(13(22)16-4-11(20)6-18)1-9(3-10)14(23)17-5-12(21)7-19;/h1-3,11-12,18-21H,4-7,15H2,(H,16,22)(H,17,23);1H |
SMILES |
Cl[H].O([H])C([H])(C([H])([H])O[H])C([H])([H])N([H])C(C1C([H])=C(C([H])=C(C(N([H])C([H])([H])C([H])(C([H])([H])O[H])O[H])=O)C=1[H])N([H])[H])=O |
别名信息
- 中文别名 -
- 5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺
- 5-氨基-N,N'-双(2,3-二羟基丙基)间苯二甲酰胺盐酸盐
- 4-溴-2,5-二氟碘苯
- 5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride 5-氨基-N,N'-双(2,3-二羟基丙基)间苯二甲酰胺盐酸盐
- 5-氨基-N,N -双(2,3-二羟基丙基)间苯二甲酰胺盐酸盐
- 5-氨基-N,N''-二(2,3-二羟基丙基)间苯二甲酰胺
- 5-氨基-N,N-二(2,3-二羟基丙基)间苯二甲酰胺
- 5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺盐酸盐(海醇中间体)
- 5-氨基-N,N''-双(2,3-二羟基丙基)间苯二甲酰胺盐酸盐
- 5-氨基-N,N’-二(2,3-二羟基丙基)间苯二甲酰胺
- 5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺盐酸盐
- 英文别名 -
- 5-Amino-N,N -bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride
- 5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride
- 5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide,hydrochloride
- 5-AMINO-N,N'-BIS(2,3-DIHYDROXY PRPYL) ISOPHTHALAMIDE
- 5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
- 1,3-Benzenedicarboxamide,5-amino-N,N'-bis(2,3-dihydroxypropyl)-, monohydrochloride (9CI)
- 5-Amino-N1,N3-bis(2,3-dihydroxypropyl)isophthalamide hydrochloride
- 5-Amino-n,n'-bis(2,3-dihydroxypropyl)isophthalamide HCl
- 5-amino-n,n'-bis-(2,3-dihydroxy-1-propyl)isophthalamide hydrochloride
- VZ30039
- 5-Amino-N,N inverted exclamation mark -bis(2,3-dihydroxy prpyl) isophthalamide
- AK394977
- 5-AM
- 5-amino-N1,N3-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide hydrochloride
- AS-47728
- AS-47728
- 5-Amino-N1,N3-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide hydrogen chloride (1/1)
- 5-Amino-N1,N3-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide hydrogen chloride (1/1)
- 1,3-Benzenedicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-, hydrochloride (1:1)
- 1,3-Benzenedicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-, hydrochloride (1:1)
- UNII-WB6QXV6056
- UNII-WB6QXV6056
- NS00078548
- NS00078548
- 5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
- hydrochloride
- 5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
- hydrochloride
- CS-0085390
- CS-0085390
- SCHEMBL1116045
- SCHEMBL1116045
- AKOS015964397
- AKOS015964397
- AC-18320
- AC-18320
- F15893
- F15893
- DTXSID70659822
- DTXSID70659822
- 203515-86-0
- 203515-86-0
- MFCD00137747
- MFCD00137747
- WB6QXV6056
- WB6QXV6056
物化性质
实验特性
LogP |
-1.20220 |
PSA |
165.14000 |
沸点 |
766°Cat760mmHg |
闪点 |
417°C |
密度 |
1.428 |
计算特性
精确分子量 |
327.14300 |
氢键供体数量 |
8 |
氢键受体数量 |
7 |
可旋转化学键数量 |
8 |
同位素质量 |
363.12 |
重原子数量 |
24 |
复杂度 |
361 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
2 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
2 |
疏水参数计算参考值(XlogP) |
无 |
互变异构体数量 |
3 |
表面电荷 |
0 |
拓扑分子极性表面积 |
165 |
参考资料
Reaxys RN |
13172319 |
Beilstein |
A151419 |