Cas no 5427-49-6 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]quinolin-8-amine
- DTXSID70328248
- 5427-49-6
-
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- Inchi： 1S/C19H29N5/c20-8-3-11-23-13-15-24(16-14-23)12-4-10-21-18-7-1-5-17-6-2-9-22-19(17)18/h1-2,5-7,9,21H,3-4,8,10-16,20H2
- InChI Key： VHRJPVRQQQBKOQ-UHFFFAOYSA-N
- SMILES： N1(CCCNC2=CC=CC3=CC=CN=C23)CCN(CCCN)CC1
Computed Properties
- Exact Mass: 327.24257
- Monoisotopic Mass: 363.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 343
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.4A^2
- XLogP3: 1.8
Experimental Properties
- Density: 1.123
- Boiling Point: 528.6°C at 760 mmHg
- Flash Point: 273.5°C
- Refractive Index: 1.617
- PSA: 57.42
Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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