Cas no 54152-21-5 (3-Azabicyclo[3.2.0]heptane, 3-(2-chloro-1-oxopropyl)- (9CI))
![3-Azabicyclo[3.2.0]heptane, 3-(2-chloro-1-oxopropyl)- (9CI) structure](https://ossimg.kuujia.com/scimg/54500/54152-21-5x500.png)
54152-21-5 structure
Product Name:3-Azabicyclo[3.2.0]heptane, 3-(2-chloro-1-oxopropyl)- (9CI)
CAS No:54152-21-5
MF:C9H14ClNO
MW:187.666561603546
CID:1020186
PubChem ID:45080869
Update Time:2025-04-20
3-Azabicyclo[3.2.0]heptane, 3-(2-chloro-1-oxopropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Azabicyclo[3.2.0]heptane, 3-(2-chloro-1-oxopropyl)- (9CI)
- 1-(3-azabicyclo[3.2.0]heptan-3-yl)-2-chloropropan-1-one
- DB-324471
- 3-AZABICYCLO[3.2.0]HEPTANE, 3-(2-CHLORO-1-OXOPROPYL)-
- 54152-21-5
- DTXSID30664154
-
- Inchi： 1S/C9H14ClNO/c1-6(10)9(12)11-4-7-2-3-8(7)5-11/h6-8H,2-5H2,1H3
- InChI Key： YOACFLBKSROWDK-UHFFFAOYSA-N
- SMILES： ClC(C)C(N1CC2CCC2C1)=O
Computed Properties
- Exact Mass: 187.0763918g/mol
- Monoisotopic Mass: 187.0763918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 20.3?2
3-Azabicyclo[3.2.0]heptane, 3-(2-chloro-1-oxopropyl)- (9CI) Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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