Cas no 105749-72-2 (Benzenamine, N-(acetyloxy)-4-ethoxy-)
105749-72-2 structure
Product Name:Benzenamine, N-(acetyloxy)-4-ethoxy-
CAS No:105749-72-2
MF:C10H13NO3
MW:195.215122938156
CID:97403
PubChem ID:71333792
Update Time:2025-04-18
Benzenamine, N-(acetyloxy)-4-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-(acetyloxy)-4-ethoxy-
- (4-ethoxyanilino) acetate
- DTXSID70761994
- 105749-72-2
- 1-[(4-Ethoxyanilino)oxy]ethan-1-one
- N-acetoxyphenetidine
-
- Inchi： 1S/C10H13NO3/c1-3-13-10-6-4-9(5-7-10)11-14-8(2)12/h4-7,11H,3H2,1-2H3
- InChI Key： OHGNHIFJIRJBBF-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1)NOC(C)=O
Computed Properties
- Exact Mass: 195.08954328g/mol
- Monoisotopic Mass: 195.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 176
- 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: 2.3
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.56000
- LogP: 2.04830
Benzenamine, N-(acetyloxy)-4-ethoxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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