Cas no 21678-63-7 (3-(Acetylamino)-N-(2-cyanoethyl)aniline)
21678-63-7 structure
Product Name:3-(Acetylamino)-N-(2-cyanoethyl)aniline
CAS No:21678-63-7
MF:C11H13N3O
MW:203.240422010422
CID:51849
PubChem ID:89010
Update Time:2025-04-18
3-(Acetylamino)-N-(2-cyanoethyl)aniline Chemical and Physical Properties
Names and Identifiers
-
- 3-(Acetylamino)-N-(2-cyanoethyl)aniline
- 3-(N-Cyanoethyl)Amino Acetanilide
- 3-(2-CYANOETHYL)AMINO ACETANILIDE
- 3-(N-CYANO)AMINO ACETANILINE
- Acetamide, N-(3-((2-cyanoethyl)amino)phenyl)-
- N-[3-(2-Cyanoethylamino)phenyl]acetamide
- 3-(2-CYANOETHYL)AMINOACETANILIDE
- DTXSID7066724
- N-(3-(2-cyanoethylamino)phenyl)acetamide
- SCHEMBL11675911
- SXAFYCXJRMPQKO-UHFFFAOYSA-N
- FT-0613835
- Acetamide, N-[3-[(2-cyanoethyl)amino]phenyl]-
- 3-(N-cyanoethyl)aminoacetanilide
- AKOS009048078
- 21678-63-7
- n-{3-[(2-cyanoethyl)amino]phenyl}acetamide
- 3-N-Cyanoethylamino-Acetanilide
-
- Inchi： 1S/C11H13N3O/c1-9(15)14-11-5-2-4-10(8-11)13-7-3-6-12/h2,4-5,8,13H,3,7H2,1H3,(H,14,15)
- InChI Key： SXAFYCXJRMPQKO-UHFFFAOYSA-N
- SMILES： O=C(C)NC1=CC=CC(=C1)NCCC#N
Computed Properties
- Exact Mass: 203.10600
- Monoisotopic Mass: 203.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 256
- 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
- Topological Polar Surface Area: 64.9A^2
- XLogP3: 1.3
Experimental Properties
- Density: 1.207
- Boiling Point: 504.3 °C at 760 mmHg
- Flash Point: 258.8 °C
- Refractive Index: 1.622
- PSA: 64.92000
- LogP: 2.11658
3-(Acetylamino)-N-(2-cyanoethyl)aniline Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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