Cas no 958852-82-9 (3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1))
![3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/959000/958852-82-9x500.png)
958852-82-9 structure
Product Name:3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1)
CAS No:958852-82-9
MF:C13H27ClN2
MW:246.819882631302
CID:832206
PubChem ID:66661065
Update Time:2025-04-19
3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1)
- 3,9-Diazaspiro[5.5]undecane, 3-butyl-, (Hydrochloride) (1:1)
- 3-BUTYL-3,9-DIAZASPIRO[5.5]UNDECANE HYDROCHLORIDE
- SCHEMBL346005
- 3,9-Diazaspiro[5.5]undecane,3-butyl-,hydrochloride
- 958852-82-9
-
- Inchi： 1S/C13H26N2.ClH/c1-2-3-10-15-11-6-13(7-12-15)4-8-14-9-5-13;/h14H,2-12H2,1H3;1H
- InChI Key： KPDMZAYMPNTMME-UHFFFAOYSA-N
- SMILES： Cl.N1(CCCC)CCC2(CCNCC2)CC1
Computed Properties
- Exact Mass: 246.18600
- Monoisotopic Mass: 246.1862766g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 15.3?2
Experimental Properties
- PSA: 15.27000
- LogP: 3.32080
3,9-Diazaspiro[5.5]undecane, 3-butyl-, hydrochloride (1:1) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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