Cas no 653600-86-3 (3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)- (9CI))
![3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)- (9CI) structure](https://ossimg.kuujia.com/scimg/654000/653600-86-3x500.png)
653600-86-3 structure
Product Name:3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)- (9CI)
CAS No:653600-86-3
MF:C10H18N2O
MW:182.262722492218
CID:1020169
PubChem ID:45119411
Update Time:2025-04-20
3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)- (9CI)
- AKOS017531928
- 653600-86-3
- 3,9-Diazabicyclo[4.2.1]nonane,3-(1-oxopropyl)-(9ci)
- DB-271474
- SCHEMBL2938510
- 3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)-
-
- Inchi： 1S/C10H18N2O/c1-2-10(13)12-6-5-8-3-4-9(7-12)11-8/h8-9,11H,2-7H2,1H3
- InChI Key： XJCKLSUHAJJCHD-UHFFFAOYSA-N
- SMILES： O=C(CC)N1CCC2CCC(C1)N2
Computed Properties
- Exact Mass: 182.141913202g/mol
- Monoisotopic Mass: 182.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 205
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 32.3?2
3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)- (9CI) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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