Cas no 195983-88-1 (1H-Pyrido[2,3-e]-1,4-diazepine,2,3,4,5-tetrahydro-)
![1H-Pyrido[2,3-e]-1,4-diazepine,2,3,4,5-tetrahydro- structure](https://ossimg.kuujia.com/scimg/196000/195983-88-1x500.png)
195983-88-1 structure
Product Name:1H-Pyrido[2,3-e]-1,4-diazepine,2,3,4,5-tetrahydro-
CAS No:195983-88-1
MF:C8H11N3
MW:149.193041086197
CID:116858
PubChem ID:18422703
Update Time:2025-04-18
1H-Pyrido[2,3-e]-1,4-diazepine,2,3,4,5-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrido[2,3-e]-1,4-diazepine,2,3,4,5-tetrahydro-
- (1H-benzo[d]imidazol-4-yl)methanamine
- 2,3,4,5-Tetrahydro-1H-pyrido[2,3-e][1,4]diazepine
- 1H-Pyrido[2,3-e]-1,4-diazepine,2,3,4,5-tetrahydro-(9CI)
- AKOS006375720
- 195983-88-1
- 1H,2H,3H,4H,5H-PYRIDO[2,3-E][1,4]DIAZEPINE
- SCHEMBL6618255
- AT20009
-
- Inchi： 1S/C8H11N3/c1-2-7-6-9-4-5-11-8(7)10-3-1/h1-3,9H,4-6H2,(H,10,11)
- InChI Key： GGZNPLHKVSFUHN-UHFFFAOYSA-N
- SMILES： N1CC2=CC=CN=C2NCC1
Computed Properties
- Exact Mass: 149.09543
- Monoisotopic Mass: 149.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 127
- 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
- Topological Polar Surface Area: 37A^2
- XLogP3: 0.3
Experimental Properties
- PSA: 36.95
1H-Pyrido[2,3-e]-1,4-diazepine,2,3,4,5-tetrahydro- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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