Cas no 5439-32-7 (Acetamide,2-bromo-N-hexyl-)
Acetamide,2-bromo-N-hexyl- structure
Product Name:Acetamide,2-bromo-N-hexyl-
CAS No:5439-32-7
MF:C8H16BrNO
MW:222.122741699219
CID:386747
PubChem ID:225547
Update Time:2025-04-19
Acetamide,2-bromo-N-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,2-bromo-N-hexyl-
- AC1LASPZ
- Acetic acid, bromo-, heptyl ester
- AG-E-38648
- Bromessigsaeure-heptylester
- Brom-essigsaeure-hexylamid
- bromo-acetic acid hexylamide
- Bromoacetic acid, heptyl ester
- CTK0E1711
- heptyl bromoacetate
- N-Hexyl-bromacetamid
- 2-bromo-n-hexylacetamide
- NSC15096
- DTXSID60969503
- NSC-15096
- 2-Bromo-N-hexylethanimidic acid
- 5439-32-7
- AKOS012991894
- SCHEMBL14621023
-
- Inchi： 1S/C8H16BrNO/c1-2-3-4-5-6-10-8(11)7-9/h2-7H2,1H3,(H,10,11)
- InChI Key： AKLXGEYCFUSVDD-UHFFFAOYSA-N
- SMILES： BrCC(NCCCCCC)=O
Computed Properties
- Exact Mass: 221.04158
- Monoisotopic Mass: 221.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 106
- 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: 2.7
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 1.236
- Boiling Point: 311.4°Cat760mmHg
- Flash Point: 142.1°C
- Refractive Index: 1.473
- PSA: 29.1
- LogP: 2.46870
Acetamide,2-bromo-N-hexyl- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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