Cas no 37672-43-8 (1-hexylazepan-2-one)
1-hexylazepan-2-one structure
Product Name:1-hexylazepan-2-one
CAS No:37672-43-8
MF:C12H23NO
MW:197.317123651505
CID:1485160
PubChem ID:181537
Update Time:2025-04-21
1-hexylazepan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1-hexylazepan-2-one
- JDQRYRLJZGMNIB-UHFFFAOYSA-N
- N-HEXYL-EPSILON-CAPROLACTAM
- SCHEMBL664937
- 1-n-Hexylazacycloheptan-2-one
- 2H-Azepin-2-one, 1-hexylhexahydro-
- 1-hexyl-2-azacycloheptanone
- DTXSID90958708
- Q63409022
- 37672-43-8
- AKOS004908730
-
- MDL： MFCD02113006
- Inchi： 1S/C12H23NO/c1-2-3-4-7-10-13-11-8-5-6-9-12(13)14/h2-11H2,1H3
- InChI Key： JDQRYRLJZGMNIB-UHFFFAOYSA-N
- SMILES： O=C1CCCCCN1CCCCCC
Computed Properties
- Exact Mass: 197.17809
- Monoisotopic Mass: 197.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 168
- 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: 2.6
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
1-hexylazepan-2-one Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
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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