Cas no 23462-13-7 (3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2))
23462-13-7 structure
Product Name:3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2)
CAS No:23462-13-7
MF:C21H35Cl2N3
MW:400.428703546524
CID:256966
PubChem ID:31914
Update Time:2025-04-19
3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
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- 3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2)
- 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane,dichloride
- 3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-(2-PIPERIDINOETHYL)-, DIHYDROCHLORIDE
- 3-Benzyl-9-(2-piperidinoethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride
- 23462-13-7
- Piperidine, 1-(2-(3-benzyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl)-, dihydrochloride
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- Inchi: 1S/C21H33N3.2ClH/c1-3-8-19(9-4-1)16-23-17-20-10-7-11-21(18-23)24(20)15-14-22-12-5-2-6-13-22;;/h1,3-4,8-9,20-21H,2,5-7,10-18H2;2*1H
- InChI Key: ZMZXIXVCGWFFFN-UHFFFAOYSA-N
- SMILES: [Cl-].[Cl-].N1(CC[NH+]2CCCCC2)C2CCCC1C[NH+](CC1C=CC=CC=1)C2
Computed Properties
- Exact Mass: 363.9471
- Monoisotopic Mass: 399.220804
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 359
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.1
Experimental Properties
- Boiling Point: 431.8°C at 760 mmHg
- Flash Point: 212°C
- PSA: 15.04
3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2) Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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