Cas no 5344-87-6 (2-bromo-3,3-dimethylbutyranilide)
5344-87-6 structure
Product Name:2-bromo-3,3-dimethylbutyranilide
CAS No:5344-87-6
MF:C12H16BrNO
MW:270.165542602539
CID:1585964
PubChem ID:95312
Update Time:2025-04-21
2-bromo-3,3-dimethylbutyranilide Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-3,3-dimethylbutyranilide
- AC1Q21HG
- 2-bromo-3-[(4-nitrophenyl)sulfanyl]naphthalene-1,4-dione
- CTK5G3174
- AG-J-80583
- 1,4-Naphthalenedione,2-bromo-3-[(4-nitrophenyl)thio]-
- 2-bromo-3-(4-nitro-phenylsulfanyl)-[1,4]naphthoquinone
- 2-bromo-3,3-dimethyl-butyric acid anilide
- NSC128983
- AC1L5PA1
- ACMC-20cexg
- 2-Brom-3-(4-nitro-phenylmercapto)-[1,4]naphthochinon
- 2-Brom-3,3-dimethyl-buttersaeure-anilid
- AR-1D9446
- AC1Q21HG; 2-bromo-3-[(4-nitrophenyl)sulfanyl]naphthalene-1,4-dione; CTK5G3174; AG-J-80583; 1,4-Naphthalenedione,2-bromo-3-[(4-nitrophenyl)thio]-; 2-bromo-3-(4-nitro-phenylsulfanyl)-[1,4]naphthoquinone; 2-bromo-3,3-dimethyl-butyric acid anilide; NSC128983; AC1L5PA1; ACMC-20cexg; 2-Brom-3-(4-nitro-phenylmercapto)-[1,4]naphthochinon; 2-Brom-3,3-dimethyl-buttersaeure-anilid; AR-1D9446;
- LC9S59Z9BV
- Butanamide, 2-bromo-3,3-dimethyl-N-phenyl-
- 2-Bromo-3,3-dimethyl-N-phenylbutanamide
- UNII-LC9S59Z9BV
- NSC-1170
- DTXSID501023341
- 5344-87-6
- NSC 1170
- NSC1170
- Q27282914
- CCRIS 1826
-
- Inchi： 1S/C12H16BrNO/c1-12(2,3)10(13)11(15)14-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)
- InChI Key： FCBRNMLTKNGVTL-UHFFFAOYSA-N
- SMILES： BrC(C(NC1C=CC=CC=1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 269.04158
- Monoisotopic Mass: 269.041527
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.1
- XLogP3: 3.6
Experimental Properties
- Density: 1.336
- Boiling Point: 373.9°C at 760 mmHg
- Flash Point: 179.9°C
- Refractive Index: 1.574
- PSA: 29.1
- LogP: 3.50770
2-bromo-3,3-dimethylbutyranilide Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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