Cas no 896729-89-8 (2-Hexanone, 6-azido-3,5-dimethyl-, (3S,5R)-)
896729-89-8 structure
Product Name:2-Hexanone, 6-azido-3,5-dimethyl-, (3S,5R)-
CAS No:896729-89-8
MF:C8H15N3O
MW:169.224201440811
CID:581856
PubChem ID:11679873
Update Time:2025-04-19
2-Hexanone, 6-azido-3,5-dimethyl-, (3S,5R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 6-azido-3,5-dimethyl-, (3S,5R)-
- (3S,5R)-6-azido-3,5-dimethylhexan-2-one
- 896729-89-8
- DTXSID50470476
-
- Inchi： 1S/C8H15N3O/c1-6(5-10-11-9)4-7(2)8(3)12/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
- InChI Key： NRGLHHURAGNVPJ-RQJHMYQMSA-N
- SMILES： O=C(C)[C@@H](C)C[C@@H](C)CN=[N+]=[N-]
Computed Properties
- Exact Mass: 169.121512110g/mol
- Monoisotopic Mass: 169.121512110g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 31.4?2
2-Hexanone, 6-azido-3,5-dimethyl-, (3S,5R)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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