Cas no 94418-01-6 (3-Penten-2-one, 4-[(3-chlorophenyl)amino]-)
![3-Penten-2-one, 4-[(3-chlorophenyl)amino]- structure](https://ossimg.kuujia.com/scimg/94500/94418-01-6x500.png)
94418-01-6 structure
Product Name:3-Penten-2-one, 4-[(3-chlorophenyl)amino]-
CAS No:94418-01-6
MF:C11H12ClNO
MW:209.672081947327
CID:752296
PubChem ID:2751202
Update Time:2025-04-19
3-Penten-2-one, 4-[(3-chlorophenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 3-Penten-2-one, 4-[(3-chlorophenyl)amino]-
- 4-(3-chloroanilino)pent-3-en-2-one
- 94418-01-6
- DTXSID50372825
-
- Inchi： 1S/C11H12ClNO/c1-8(6-9(2)14)13-11-5-3-4-10(12)7-11/h3-7,13H,1-2H3
- InChI Key： LCYYMBIZPBZYTN-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)NC(=CC(C)=O)C
Computed Properties
- Exact Mass: 209.0607417g/mol
- Monoisotopic Mass: 209.0607417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.3
- Topological Polar Surface Area: 29.1?2
3-Penten-2-one, 4-[(3-chlorophenyl)amino]- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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