Cas no 28353-00-6 (Cyclobutaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R,3R)-rel-)
28353-00-6 structure
Product Name:Cyclobutaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R,3R)-rel-
CAS No:28353-00-6
MF:C10H15NO
MW:165.232202768326
CID:252056
PubChem ID:768677
Update Time:2025-04-19
Cyclobutaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R,3R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R,3R)-rel-
- acetonitrile,1-(2,2-dimethylcyclobutyl)ethanone
- ethanenitrile
- 2-[(1S,3S)-3-acetyl-2,2-dimethyl-cyclobutyl]acetonitrile
- (1S,3S)-3-ACETYL-2,2-DIMETHYLCYCLOBUTANE ACETONITRILE
- [(1s,3s)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
- 28353-00-6
- 2-((1S,3S)-3-Acetyl-2,2-dimethylcyclobutyl)acetonitrile
- A819424
- A824753
- 2-[(1S,3S)-3-ethanoyl-2,2-dimethyl-cyclobutyl]ethanenitrile
- 2-[(1S,3S)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
- AKOS017342890
-
- Inchi： 1S/C10H15NO/c1-7(12)9-6-8(4-5-11)10(9,2)3/h8-9H,4,6H2,1-3H3/t8-,9-/m1/s1
- InChI Key： VILTYDDIGXXGBZ-RKDXNWHRSA-N
- SMILES： O=C(C)[C@H]1C[C@@H](CC#N)C1(C)C
Computed Properties
- Exact Mass: 165.11500
- Monoisotopic Mass: 165.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 1.2
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- Density: 0.9600
- Boiling Point: 293.09°C (rough estimate)
- Refractive Index: 1.4640 (estimate)
- PSA: 40.86000
- LogP: 2.15138
Cyclobutaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R,3R)-rel- Security Information
- Storage Condition：0-6°C
Cyclobutaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R,3R)-rel- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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