Cas no 7468-03-3 (3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium)
7468-03-3 structure
Product Name:3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium
CAS No:7468-03-3
MF:C18H31IN2
MW:402.356617212296
CID:979815
PubChem ID:24200715
Update Time:2025-04-19
3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium Chemical and Physical Properties
Names and Identifiers
-
- 3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium
- 3-[3-(Dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidin-1-ium iodide
- 7468-03-3
- NSC400723
- NSC-400723
- DTXSID80639453
- 3-(1,1-Dimethyl-3-phenyl-2,4,5,6-tetrahydropyridin-3-yl)-n,n-dimethyl-propan-1-amine
- DS-004491
-
- Inchi: 1S/C18H31N2.HI/c1-19(2)14-8-12-18(17-10-6-5-7-11-17)13-9-15-20(3,4)16-18;/h5-7,10-11H,8-9,12-16H2,1-4H3;1H/q+1;/p-1
- InChI Key: WYMQZVCKQSINIF-UHFFFAOYSA-M
- SMILES: [I-].[N+]1(C)(C)CCCC(C2C=CC=CC=2)(CCCN(C)C)C1
Computed Properties
- Exact Mass: 275.24893
- Monoisotopic Mass: 402.153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 292
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 3.24
3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
7468-03-3 (3-[3-(dimethylamino)propyl]-1,1-dimethyl-3-phenylpiperidinium) Related Products
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