Cas no 84460-49-1 (2H-Azepin-2-one, hexahydro-7-pentyl-)
84460-49-1 structure
Product Name:2H-Azepin-2-one, hexahydro-7-pentyl-
CAS No:84460-49-1
MF:C11H21NO
MW:183.290543317795
CID:1824012
PubChem ID:13039887
Update Time:2025-04-21
2H-Azepin-2-one, hexahydro-7-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepin-2-one, hexahydro-7-pentyl-
- 7-pentylazepan-2-one
- DTXSID30516023
- SCHEMBL9800093
- 84460-49-1
-
- Inchi： 1S/C11H21NO/c1-2-3-4-7-10-8-5-6-9-11(13)12-10/h10H,2-9H2,1H3,(H,12,13)
- InChI Key： BUAVDNKUSNKBRL-UHFFFAOYSA-N
- SMILES： O=C1CCCCC(CCCCC)N1
Computed Properties
- Exact Mass: 183.162314293g/mol
- Monoisotopic Mass: 183.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 156
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 29.1?2
2H-Azepin-2-one, hexahydro-7-pentyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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