Cas no 120482-72-6 (3,7-Diazabicyclo[3.3.1]nonane,3-[(4-bromophenyl)sulfonyl]-9,9-dimethyl-7-pentyl-, hydrochloride (1:1))
![3,7-Diazabicyclo[3.3.1]nonane,3-[(4-bromophenyl)sulfonyl]-9,9-dimethyl-7-pentyl-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/120500/120482-72-6x500.png)
120482-72-6 structure
Product Name:3,7-Diazabicyclo[3.3.1]nonane,3-[(4-bromophenyl)sulfonyl]-9,9-dimethyl-7-pentyl-, hydrochloride (1:1)
CAS No:120482-72-6
MF:C20H32BrClN2O2S
MW:479.902282714844
CID:214812
PubChem ID:3078276
Update Time:2025-04-19
3,7-Diazabicyclo[3.3.1]nonane,3-[(4-bromophenyl)sulfonyl]-9,9-dimethyl-7-pentyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Diazabicyclo[3.3.1]nonane,3-[(4-bromophenyl)sulfonyl]-9,9-dimethyl-7-pentyl-, hydrochloride (1:1)
- 3-(4-bromophenyl)sulfonyl-9,9-dimethyl-7-pentyl-3,7-diazabicyclo[3.3.1]nonane,hydrochloride
- 120482-72-6
- 3,7-Diazabicyclo(3.3.1)nonane, 3-((4-bromophenyl)sulfonyl)-9,9-dimethyl-7-pentyl-, monohydrochloride
- 3-((4-Bromophenyl)sulfonyl)-9,9-dimethyl-7-pentyl-3,7-diazabicyclo(3.3.1)nonane, hydrochloride
- DTXSID30923435
- 3-(4-Bromobenzene-1-sulfonyl)-9,9-dimethyl-7-pentyl-3,7-diazabicyclo[3.3.1]nonane--hydrogen chloride (1/1)
-
- Inchi： 1S/C20H31BrN2O2S.ClH/c1-4-5-6-11-22-12-16-14-23(15-17(13-22)20(16,2)3)26(24,25)19-9-7-18(21)8-10-19;/h7-10,16-17H,4-6,11-15H2,1-3H3;1H
- InChI Key： HDCUVVLAURERDT-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)S(N1CC2CN(CCCCC)CC(C1)C2(C)C)(=O)=O.Cl
Computed Properties
- Exact Mass: 478.10586
- Monoisotopic Mass: 478.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 549
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49?2
Experimental Properties
- Boiling Point: 500.3°Cat760mmHg
- Flash Point: 256.3°C
- PSA: 40.62
3,7-Diazabicyclo[3.3.1]nonane,3-[(4-bromophenyl)sulfonyl]-9,9-dimethyl-7-pentyl-, hydrochloride (1:1) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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