Cas no 774499-89-7 (1H-Azepine,3-ethylhexahydro-1-methyl-3-phenyl-)
774499-89-7 structure
Product Name:1H-Azepine,3-ethylhexahydro-1-methyl-3-phenyl-
CAS No:774499-89-7
MF:C15H23N
MW:217.34982419014
CID:552451
PubChem ID:45095256
Update Time:2025-04-19
1H-Azepine,3-ethylhexahydro-1-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine,3-ethylhexahydro-1-methyl-3-phenyl-
- 1H-Azepine,3-ethylhexahydro-1-methyl-3-phenyl-(9CI)
- 3-ethyl-1-methyl-3-phenylazepane
- SCHEMBL20698849
- 774499-89-7
-
- Inchi： 1S/C15H23N/c1-3-15(14-9-5-4-6-10-14)11-7-8-12-16(2)13-15/h4-6,9-10H,3,7-8,11-13H2,1-2H3
- InChI Key： HENWCVSKXNYCGD-UHFFFAOYSA-N
- SMILES： N1(C)CCCCC(C2C=CC=CC=2)(CC)C1
Computed Properties
- Exact Mass: 217.18319
- Monoisotopic Mass: 217.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 208
- 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
- Topological Polar Surface Area: 3.2A^2
- XLogP3: 3.8
Experimental Properties
- PSA: 3.24
1H-Azepine,3-ethylhexahydro-1-methyl-3-phenyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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