Cas no 112997-60-1 (Butanoic acid,4-oxo-4-(phenylamino)-, ammonium salt (1:1))
112997-60-1 structure
Product Name:Butanoic acid,4-oxo-4-(phenylamino)-, ammonium salt (1:1)
CAS No:112997-60-1
MF:C10H14N2O3
MW:210.229762554169
CID:204309
PubChem ID:60580
Update Time:2025-04-19
Butanoic acid,4-oxo-4-(phenylamino)-, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-oxo-4-(phenylamino)-, ammonium salt (1:1)
- azanium,4-anilino-4-oxobutanoate
- DTXSID10150247
- 112997-60-1
- BUTANOIC ACID, 4-OXO-4-(PHENYLAMINO)-, MONOAMMONIUM SALT
- Succinanilic acid monoammonium salt
- 4-Oxo-4-(phenylamino)butanoic acid monoammonium salt
-
- Inchi： 1S/C10H11NO3.H3N/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,11,12)(H,13,14);1H3
- InChI Key： DDUXGSQMKITHGC-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)[O-])NC1C=CC=CC=1.[NH4+]
Computed Properties
- Exact Mass: 210.10052
- Monoisotopic Mass: 210.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 204
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.2A^2
Experimental Properties
- Boiling Point: 462.3°Cat760mmHg
- Flash Point: 233.4°C
- PSA: 105.73
Butanoic acid,4-oxo-4-(phenylamino)-, ammonium salt (1:1) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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