Cas no 159909-28-1 (2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylicacid, 3-oxo-, phenylmethyl ester, hydrobromide, (1S)- (9CI))
![2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylicacid, 3-oxo-, phenylmethyl ester, hydrobromide, (1S)- (9CI) structure](https://ossimg.kuujia.com/scimg/160000/159909-28-1x500.png)
159909-28-1 structure
Product Name:2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylicacid, 3-oxo-, phenylmethyl ester, hydrobromide, (1S)- (9CI)
CAS No:159909-28-1
MF:C5H10BrNO
MW:180.04300069809
CID:109372
PubChem ID:45789468
Update Time:2025-04-18
2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylicacid, 3-oxo-, phenylmethyl ester, hydrobromide, (1S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylicacid, 3-oxo-, phenylmethyl ester, hydrobromide, (1S)- (9CI)
- (1S,4S)-2-OXA-5-AZABICYCLO[2.2.1]HEPTANE HYDROBROMIDE
- AKOS040768779
- 159909-28-1
- 547716-11-0
- (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrobromide
- EN300-19633269
- rac-(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrobromide
- DB-361875
-
- Inchi： 1S/C5H9NO.BrH/c1-4-3-7-5(1)2-6-4;/h4-6H,1-3H2;1H/t4-,5-;/m0./s1
- InChI Key： HGEANTQLVIFWHO-FHAQVOQBSA-N
- SMILES： Br.O1C[C@@H]2C[C@H]1CN2
Computed Properties
- Exact Mass: 178.99500
- Monoisotopic Mass: 178.995
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 84.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 21.3A^2
Experimental Properties
- PSA: 21.26000
- LogP: 1.03400
2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylicacid, 3-oxo-, phenylmethyl ester, hydrobromide, (1S)- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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