Cas no 947149-42-0 (2,7-Diazaspiro[4.4]nonane, 2-(4-nitrophenyl)-, (5S)-)
![2,7-Diazaspiro[4.4]nonane, 2-(4-nitrophenyl)-, (5S)- structure](https://ossimg.kuujia.com/scimg/947500/947149-42-0x500.png)
947149-42-0 structure
Product Name:2,7-Diazaspiro[4.4]nonane, 2-(4-nitrophenyl)-, (5S)-
CAS No:947149-42-0
MF:C13H17N3O2
MW:247.292982816696
CID:831815
PubChem ID:68989305
Update Time:2025-04-19
2,7-Diazaspiro[4.4]nonane, 2-(4-nitrophenyl)-, (5S)- Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Diazaspiro[4.4]nonane, 2-(4-nitrophenyl)-, (5S)-
- (5S)-2-(4-Nitrophenyl)-2,7-diazaspiro[4.4]nonane
- 2,7-Diazaspiro[4.4]nonane,2-(4-nitrophenyl)-,(5S)-
- 947149-42-0
- (S)-2-(4-nitro-phenyl)-2,7-diaza-spiro[4.4]nonane
- AQGMJDQOLUGZPC-ZDUSSCGKSA-N
- SCHEMBL4290270
-
- Inchi： 1S/C13H17N3O2/c17-16(18)12-3-1-11(2-4-12)15-8-6-13(10-15)5-7-14-9-13/h1-4,14H,5-10H2/t13-/m0/s1
- InChI Key： AQGMJDQOLUGZPC-ZDUSSCGKSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)N1CC[C@@]2(CNCC2)C1)=O
Computed Properties
- Exact Mass: 247.132076794g/mol
- Monoisotopic Mass: 247.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 61.1?2
2,7-Diazaspiro[4.4]nonane, 2-(4-nitrophenyl)-, (5S)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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