Cas no 20308-68-3 (Azepan-1-yl-(3-methylphenyl)methanone)
20308-68-3 structure
Product Name:Azepan-1-yl-(3-methylphenyl)methanone
CAS No:20308-68-3
MF:C14H19NO
MW:217.306763887405
CID:1392703
PubChem ID:247215
Update Time:2025-04-20
Azepan-1-yl-(3-methylphenyl)methanone Chemical and Physical Properties
Names and Identifiers
-
- Azepan-1-yl-(3-methylphenyl)methanone
- azepan-1-yl(3-methylphenyl)methanone
- NSC61581
- AC1L6JSH
- AC1Q5ENN
- CBMicro_016070
- Ambcb5271724
- 1-(3-methylbenzoyl)azepane
- SureCN10174633
- MLS000532777
- azepan-1-yl(3-methylphenyl)methanone; NSC61581; AC1L6JSH; AC1Q5ENN; CBMicro_016070; Ambcb5271724; 1-(3-methylbenzoyl)azepane; SureCN10174633; MLS000532777;
- SCHEMBL10174633
- 20308-68-3
- SMR000140215
- CHEMBL1597374
- NSC-61581
- Cambridge id 5271724
- DTXSID60289490
- BIM-0016288.P001
- HMS2481D16
- CCG-5309
- AB00078546-01
- AKOS003854298
-
- Inchi： 1S/C14H19NO/c1-12-7-6-8-13(11-12)14(16)15-9-4-2-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3
- InChI Key： SSWODRVIEQMLGC-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C)C=1)N1CCCCCC1
Computed Properties
- Exact Mass: 217.14700
- Monoisotopic Mass: 217.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 3.5
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31000
- LogP: 2.94910
Azepan-1-yl-(3-methylphenyl)methanone Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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