Cas no 1037559-68-4 (3-Benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane)
![3-Benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane structure](https://ossimg.kuujia.com/scimg/1038000/1037559-68-4x500.png)
1037559-68-4 structure
Product Name:3-Benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CAS No:1037559-68-4
MF:C14H19N
MW:201.30736374855
CID:2129795
Update Time:2023-08-03
3-Benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane Chemical and Physical Properties
Names and Identifiers
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- 3-benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
- 3-Benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
-
- Inchi： 1S/C14H19N/c1-14(2)12-9-15(10-13(12)14)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
- InChI Key： CKGZXCLOGOBTDI-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CC2C(C1)C2(C)C
Computed Properties
- Exact Mass: 201.152
- Monoisotopic Mass: 201.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2
Experimental Properties
- PSA: 3.24000
- LogP: 2.71230
3-Benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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