Cas no 51413-94-6 (Pyrrolo[1,2-a]pyrimidine, 6-heptyl-2,3,4,6,7,8-hexahydro-)
![Pyrrolo[1,2-a]pyrimidine, 6-heptyl-2,3,4,6,7,8-hexahydro- structure](https://ossimg.kuujia.com/scimg/51500/51413-94-6x500.png)
51413-94-6 structure
Product Name:Pyrrolo[1,2-a]pyrimidine, 6-heptyl-2,3,4,6,7,8-hexahydro-
CAS No:51413-94-6
MF:C14H26N2
MW:222.369643688202
CID:362346
PubChem ID:66808142
Update Time:2025-04-19
Pyrrolo[1,2-a]pyrimidine, 6-heptyl-2,3,4,6,7,8-hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolo[1,2-a]pyrimidine, 6-heptyl-2,3,4,6,7,8-hexahydro-
- 6-heptyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
- SCHEMBL809683
- DTXSID60735806
- 51413-94-6
-
- Inchi： 1S/C14H26N2/c1-2-3-4-5-6-8-13-9-10-14-15-11-7-12-16(13)14/h13H,2-12H2,1H3
- InChI Key： AZACJRRYRRIRPO-UHFFFAOYSA-N
- SMILES： N12CCCN=C1CCC2CCCCCCC
Computed Properties
- Exact Mass: 222.20978
- Monoisotopic Mass: 222.209598838g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 235
- 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: 3.3
- Topological Polar Surface Area: 15.6?2
Experimental Properties
- PSA: 15.6
Pyrrolo[1,2-a]pyrimidine, 6-heptyl-2,3,4,6,7,8-hexahydro- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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