Cas no 5960-99-6 (2H-Azepine-7-pentanamine,3,4,5,6-tetrahydro-)
5960-99-6 structure
Product Name:2H-Azepine-7-pentanamine,3,4,5,6-tetrahydro-
2H-Azepine-7-pentanamine,3,4,5,6-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepine-7-pentanamine,3,4,5,6-tetrahydro-
- 3,4,5,6-tetrahydro-2H-Azepine-7-pentanamine
- 3,4,5,6-tetrahydro-2H-azepine-7-pentylamine
- 5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pentan-1-amine
- 7-(5-Aminopentyl)-3,4,5,6-tetrahydro-2H-azepine
- NS00034199
- 2H-Azepine, 7-(5-aminopentyl)-3,4,5,6-tetrahydro-
- 3,4,5,6-Tetrahydro-7-(omega-aminopentyl)-2H-azepine
- MFCD20691060
- DTXSID3064067
- 5960-99-6
- EINECS 227-732-5
- 2H-Azepine-7-pentanamine, 3,4,5,6-tetrahydro-
- 3SKX99X4GB
- SCHEMBL8412913
-
- Inchi： 1S/C11H22N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h1-10,12H2
- InChI Key： WKYSBZBUEASENO-UHFFFAOYSA-N
- SMILES： N1CCCCCC=1CCCCCN
Computed Properties
- Exact Mass: 182.17846
- Monoisotopic Mass: 182.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 152
- 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
- Topological Polar Surface Area: 38.4A^2
- XLogP3: 0.8
Experimental Properties
- Density: 0.99
- Boiling Point: 285.2°C at 760 mmHg
- Flash Point: 126.3°C
- Refractive Index: 1.521
- PSA: 38.38
2H-Azepine-7-pentanamine,3,4,5,6-tetrahydro- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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