Cas no 108696-11-3 (Azocine,octahydro-1-(1-methylethyl)-)
108696-11-3 structure
Product Name:Azocine,octahydro-1-(1-methylethyl)-
CAS No:108696-11-3
MF:C10H21N
MW:155.28044295311
CID:128123
PubChem ID:23573827
Update Time:2025-04-18
Azocine,octahydro-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Azocine,octahydro-1-(1-methylethyl)-
- 1-propan-2-ylazocane
- Azocine, octahydro-1-(1-methylethyl)- (9CI)
- 1-isopropyloctahydroazocine
- ACMC-1C879
- AG-D-25252
- CTK4A6162
- SureCN1083818
- 108696-11-3
- SCHEMBL1083818
- 1-(Propan-2-yl)azocane
- DTXSID90635027
- Azocine,octahydro-1-(1-methylethyl)-(9ci)
-
- Inchi： 1S/C10H21N/c1-10(2)11-8-6-4-3-5-7-9-11/h10H,3-9H2,1-2H3
- InChI Key： WXRVWIVUBDOQEU-UHFFFAOYSA-N
- SMILES： N1(C(C)C)CCCCCCC1
Computed Properties
- Exact Mass: 155.16753
- Monoisotopic Mass: 155.167399674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 91
- 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
- XLogP3: 2.8
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
Azocine,octahydro-1-(1-methylethyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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