当前位置: 首页 » 资料 » 化学物质数据库 » NSC133072,Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl

NSC133072,Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:2
摘 要:NSC133072,Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-(3-methylphenyl)benzenepropanamide (1:1),Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-m-hydrocinnamotoluidide (1:1),
[Synonyms]
NSC133072
Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-(3-methylphenyl)benzenepropanamide (1:1)
Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-m-hydrocinnamotoluidide (1:1)

[Structure]
NSC133072,Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl

[ Properties Computed from Structure]
Molecular Weight488.60298 [g/mol]
Molecular FormulaC23H32N6O4S
H-Bond Donor4
H-Bond Acceptor9
Rotatable Bond Count6
Tautomer Count10
Exact Mass488.220574
MonoIsotopic Mass488.220574
Topological Polar Surface Area164
Heavy Atom Count34
Formal Charge0
Complexity726
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: 3-[4-(4,6-diamino-2,2-dimethyl-1,3,
5-triazin-1-yl)phenyl]-N-(3-methylphenyl)propanamide; ethanesulfonic
acid
Canonical SMILES: CCS(=O)(=O)O.CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N
InChI: InChI=1/C21H26N6O.C2H6O3S/c1-14-5-4-6-16(13-14)24-18(28)12-9-15-7-10-17
(11-8-15)27-20(23)25-19(22)26-21(27,2)3;1-2-6(3,4)5/h4-8,10-11,13H,9,
12H2,1-3H3,(H,24,28)(H4,22,23,25,26);2H2,1H3,(H,3,4,5)/f/h24H,22-23H2;3H

 
本文导航:
  • (1) NSC133072,Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dimethyl
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注