Cas no 120466-20-8 (Spiro[cyclohexane-1,9'-[3,7]diazabicyclo[3.3.1]nonane],3'-[(4-bromophenyl)sulfonyl]-7'-(cyclohexylmethyl)-)
![Spiro[cyclohexane-1,9'-[3,7]diazabicyclo[3.3.1]nonane],3'-[(4-bromophenyl)sulfonyl]-7'-(cyclohexylmethyl)- structure](https://ossimg.kuujia.com/scimg/120500/120466-20-8x500.png)
120466-20-8 structure
Product Name:Spiro[cyclohexane-1,9'-[3,7]diazabicyclo[3.3.1]nonane],3'-[(4-bromophenyl)sulfonyl]-7'-(cyclohexylmethyl)-
CAS No:120466-20-8
MF:C25H37BrN2O2S
MW:509.542484998703
CID:225291
PubChem ID:3078269
Update Time:2025-04-19
Spiro[cyclohexane-1,9'-[3,7]diazabicyclo[3.3.1]nonane],3'-[(4-bromophenyl)sulfonyl]-7'-(cyclohexylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Spiro[cyclohexane-1,9'-[3,7]diazabicyclo[3.3.1]nonane],3'-[(4-bromophenyl)sulfonyl]-7'-(cyclohexylmethyl)-
- 3-(3-bromophenyl)sulfonyl-7-(cyclohexylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
- 3-(3-Bromobenzene-1-sulfonyl)-7-(cyclohexylmethyl)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclohexane]
- DTXSID80923425
- 120466-20-8
- Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-((4-bromophenyl)sulfonyl)-7'-(cyclohexylmethyl)-
-
- Inchi： 1S/C25H37BrN2O2S/c26-23-10-7-11-24(14-23)31(29,30)28-18-21-16-27(15-20-8-3-1-4-9-20)17-22(19-28)25(21)12-5-2-6-13-25/h7,10-11,14,20-22H,1-6,8-9,12-13,15-19H2
- InChI Key： DMQXYOYTOUHHPS-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)S(N1CC2CN(CC3CCCCC3)CC(C1)C12CCCCC1)(=O)=O
Computed Properties
- Exact Mass: 508.17611
- Monoisotopic Mass: 508.175912
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 694
- Covalently-Bonded Unit Count: 1
- 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
- XLogP3: 6.8
Experimental Properties
- Density: 1.36
- Boiling Point: 600.8°C at 760 mmHg
- Flash Point: 317.2°C
- Refractive Index: 1.62
- PSA: 40.62
Spiro[cyclohexane-1,9'-[3,7]diazabicyclo[3.3.1]nonane],3'-[(4-bromophenyl)sulfonyl]-7'-(cyclohexylmethyl)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
120466-20-8 (Spiro[cyclohexane-1,9'-[3,7]diazabicyclo[3.3.1]nonane],3'-[(4-bromophenyl)sulfonyl]-7'-(cyclohexylmethyl)-) Related Products
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