Cas no 4963-05-7 (Boron,(1,3-diphenyl-1,3-propanedionato-O,O')diphenyl-,(T-4)- (9CI))
4963-05-7 structure
Product Name:Boron,(1,3-diphenyl-1,3-propanedionato-O,O')diphenyl-,(T-4)- (9CI)
CAS No:4963-05-7
MF:C13H19NO
MW:205.296063661575
CID:335047
PubChem ID:229605
Update Time:2025-04-19
Boron,(1,3-diphenyl-1,3-propanedionato-O,O')diphenyl-,(T-4)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Boron,(1,3-diphenyl-1,3-propanedionato-O,O')diphenyl-,(T-4)- (9CI)
- 4963-05-7
- NSC-23396
- 58265-35-3
- 2,2,3-Trimethyl-N-phenylbutanimidic acid
- NSC23396
- DTXSID90964309
- SCHEMBL5542466
-
- Inchi： 1S/C13H19NO/c1-10(2)13(3,4)12(15)14-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)
- InChI Key： ZJPKXFOXZPWWMF-UHFFFAOYSA-N
- SMILES： O=C(C(C)(C)C(C)C)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 205.147
- Monoisotopic Mass: 205.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 2.8
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 0.999
- Boiling Point: 345°Cat760mmHg
- Flash Point: 207.3°C
- Refractive Index: 1.531
Boron,(1,3-diphenyl-1,3-propanedionato-O,O')diphenyl-,(T-4)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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