Cas no 153894-18-9 (Pyrazino[1,2-d][1,4]diazepine,decahydro-)
![Pyrazino[1,2-d][1,4]diazepine,decahydro- structure](https://ossimg.kuujia.com/scimg/154000/153894-18-9x500.png)
153894-18-9 structure
Product Name:Pyrazino[1,2-d][1,4]diazepine,decahydro-
CAS No:153894-18-9
MF:C8H17N3
MW:155.240681409836
CID:106383
PubChem ID:10012130
Update Time:2025-04-18
Pyrazino[1,2-d][1,4]diazepine,decahydro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazino[1,2-d][1,4]diazepine,decahydro-
- DECAHYDRO-PYRAZINO[1,2-D][1,4]DIAZEPINE
- 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-d][1,4]diazepine
- Pyrazino[1,2-d][1,4]diazepine, decahydro- (9CI)
- DTXSID80434061
- Pyrazino[1,2-d][1,4]diazepine,decahydro-(9ci)
- Decahydropyrazino[1,2-d][1,4]diazepine
- 153894-18-9
-
- Inchi： 1S/C8H17N3/c1-2-9-3-5-11-6-4-10-7-8(1)11/h8-10H,1-7H2
- InChI Key： XLCYOUKRVASGKM-UHFFFAOYSA-N
- SMILES： N12CCNCCC1CNCC2
Computed Properties
- Exact Mass: 155.14241
- Monoisotopic Mass: 155.142247555g/mol
- 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 : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- PSA: 27.3
Pyrazino[1,2-d][1,4]diazepine,decahydro- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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