Cas no 40832-99-3 (1-H-Azepine, hexahydro-1-phenyl)
40832-99-3 structure
Product Name:1-H-Azepine, hexahydro-1-phenyl
CAS No:40832-99-3
MF:C12H17N
MW:175.270083189011
CID:2667835
PubChem ID:142498
Update Time:2025-04-21
1-H-Azepine, hexahydro-1-phenyl Chemical and Physical Properties
Names and Identifiers
-
- 1-phenylazepane
- SCHEMBL2312380
- 1-H-Azepine, hexahydro-1-phenyl
- YMDZJGQBSPNMEF-UHFFFAOYSA-N
- DTXCID30116305
- 40832-99-3
- 1-phenyl-azepane
- DTXSID90193814
-
- Inchi： 1S/C12H17N/c1-2-7-11-13(10-6-1)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2
- InChI Key： YMDZJGQBSPNMEF-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=CC=2)CCCCCC1
Computed Properties
- Exact Mass: 175.136099547Da
- Monoisotopic Mass: 175.136099547Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 130
- 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: 3.3
- Topological Polar Surface Area: 3.2?2
1-H-Azepine, hexahydro-1-phenyl Related Literature
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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