Cas no 704883-52-3 (1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-, (4S,8aS)-)
![1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-, (4S,8aS)- structure](https://ossimg.kuujia.com/scimg/705000/704883-52-3x500.png)
704883-52-3 structure
Product Name:1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-, (4S,8aS)-
CAS No:704883-52-3
MF:C8H15NO
MW:141.210802316666
CID:557408
PubChem ID:75089140
Update Time:2025-04-19
1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-, (4S,8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-, (4S,8aS)-
- (4S,8aS)-4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
- 1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-,(4S,8aS)-(9CI)
- (4S,8aS)-4-Methylhexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
- LogP
- 704883-52-3
-
- Inchi： 1S/C8H15NO/c1-7-5-10-6-8-3-2-4-9(7)8/h7-8H,2-6H2,1H3
- InChI Key： GHKIRYIQADNQPH-UHFFFAOYSA-N
- SMILES： O1CC(C)N2CCCC2C1
Computed Properties
- Exact Mass: 141.115
- Monoisotopic Mass: 141.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.5A^2
- XLogP3: 0.9
Experimental Properties
- Density: 1.02
- Boiling Point: 190.4°C at 760 mmHg
- Flash Point: 53.5°C
- Refractive Index: 1.501
1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-, (4S,8aS)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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