Cas no 757933-52-1 (1H-1,4,7-Triazonine-1-acetic acid, octahydro-4-(phenylmethyl)-)
757933-52-1 structure
Product Name:1H-1,4,7-Triazonine-1-acetic acid, octahydro-4-(phenylmethyl)-
CAS No:757933-52-1
MF:C15H23N3O2
MW:277.362023591995
CID:538983
PubChem ID:70852428
Update Time:2025-04-19
1H-1,4,7-Triazonine-1-acetic acid, octahydro-4-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,4,7-Triazonine-1-acetic acid, octahydro-4-(phenylmethyl)-
- 2-(4-benzyl-1,4,7-triazonan-1-yl)acetic acid
- SCHEMBL13185789
- (4-Benzyl-1,4,7-triazonan-1-yl)acetic acid
- DTXSID90744047
- 757933-52-1
-
- Inchi： 1S/C15H23N3O2/c19-15(20)13-18-9-7-16-6-8-17(10-11-18)12-14-4-2-1-3-5-14/h1-5,16H,6-13H2,(H,19,20)
- InChI Key： ZQKVQTQODUFNCT-UHFFFAOYSA-N
- SMILES： OC(CN1CCNCCN(CC2C=CC=CC=2)CC1)=O
Computed Properties
- Exact Mass: 277.17919
- Monoisotopic Mass: 277.17902698g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 293
- 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: -1.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.81
1H-1,4,7-Triazonine-1-acetic acid, octahydro-4-(phenylmethyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
757933-52-1 (1H-1,4,7-Triazonine-1-acetic acid, octahydro-4-(phenylmethyl)-) Related Products
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