Cas no 91248-14-5 ( )
structure
Product Name:
CAS No:91248-14-5
MF:C11H15NO4
MW:225.241103410721
CID:996115
PubChem ID:281676
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,4,5-trimethoxyphenyl)acetamide
- KJMYEQUQHKISSS-UHFFFAOYSA-N
- NSC134542
- NSC-134542
- 3,4,5-trimethoxyphenylacetamide
- 91248-14-5
- DTXSID70300069
- 3,4,5-Trimethoxybenzeneacetamide
- SCHEMBL1991744
-
-
- Inchi： 1S/C11H15NO4/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H2,12,13)
- InChI Key： KJMYEQUQHKISSS-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=C(C=1)CC(N)=O)OC)OC
Computed Properties
- Exact Mass: 225.1
- Monoisotopic Mass: 225.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 70.8?2
Experimental Properties
- Density: 1.154
- Boiling Point: 401.5°C at 760 mmHg
- Flash Point: 203.5°C
- Refractive Index: 1.521
Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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