Cas no 71609-35-3 (1H-Azepine-3-carboxylicacid, 2,5,6,7-tetrahydro-)
71609-35-3 structure
Product Name:1H-Azepine-3-carboxylicacid, 2,5,6,7-tetrahydro-
CAS No:71609-35-3
MF:C7H11NO2
MW:141.167742013931
CID:575276
PubChem ID:71405137
Update Time:2025-04-19
1H-Azepine-3-carboxylicacid, 2,5,6,7-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine-3-carboxylicacid, 2,5,6,7-tetrahydro-
- Homoguvacine
- 2,3,4,7-tetrahydro-1H-azepine-6-carboxylic acid
- 2,5,6,7-Tetrahydro-1H-azepine-3-carboxylic acid
- DTXSID50825846
- 71609-35-3
-
- Inchi： 1S/C7H11NO2/c9-7(10)6-3-1-2-4-8-5-6/h3,8H,1-2,4-5H2,(H,9,10)
- InChI Key： PMAYESAVKNWCAZ-UHFFFAOYSA-N
- SMILES： OC(C1=CCCCNC1)=O
Computed Properties
- Exact Mass: 141.07903
- Monoisotopic Mass: 141.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.2
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
1H-Azepine-3-carboxylicacid, 2,5,6,7-tetrahydro- Related Literature
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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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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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