Cas no 7236-25-1 (8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-(methyl-t)-, methyl ester, hydriodide,[1R-(2-endo,3-exo)]- (9CI))
![8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-(methyl-t)-, methyl ester, hydriodide,[1R-(2-endo,3-exo)]- (9CI) structure](https://ossimg.kuujia.com/scimg/7500/7236-25-1x500.png)
7236-25-1 structure
Product Name:8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-(methyl-t)-, methyl ester, hydriodide,[1R-(2-endo,3-exo)]- (9CI)
CAS No:7236-25-1
MF:C18H31N3O6
MW:385.455245256424
CID:577858
PubChem ID:5251723
Update Time:2025-04-19
8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-(methyl-t)-, methyl ester, hydriodide,[1R-(2-endo,3-exo)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-(methyl-t)-, methyl ester, hydriodide,[1R-(2-endo,3-exo)]- (9CI)
- 2-[[3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid
- DTXSID30413366
- 7236-25-1
-
- Inchi： 1S/C18H31N3O6/c1-6-11(2)14(16(25)19-10-13(22)23)20-15(24)12-8-7-9-21(12)17(26)27-18(3,4)5/h11-12,14H,6-10H2,1-5H3,(H,19,25)(H,20,24)(H,22,23)
- InChI Key： CJZCPSKRLAXMFL-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CCCC1C(NC(C(NCC(=O)O)=O)C(C)CC)=O)=O
Computed Properties
- Exact Mass: 385.22143
- Monoisotopic Mass: 385.221
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 9
- Complexity: 572
- 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: 1.2
- Topological Polar Surface Area: 125A^2
Experimental Properties
- Density: 1.19
- Boiling Point: 642°Cat760mmHg
- Flash Point: 342.1°C
- Refractive Index: 1.511
- PSA: 125.04
8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-(methyl-t)-, methyl ester, hydriodide,[1R-(2-endo,3-exo)]- (9CI) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
7236-25-1 (8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-(methyl-t)-, methyl ester, hydriodide,[1R-(2-endo,3-exo)]- (9CI)) Related Products
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