Cas no 85868-44-6 (2-[3-(4-phenylpiperazin-1-yl)propoxy]aniline)
![2-[3-(4-phenylpiperazin-1-yl)propoxy]aniline structure](https://ossimg.kuujia.com/scimg/86000/85868-44-6x500.png)
85868-44-6 structure
Product Name:2-[3-(4-phenylpiperazin-1-yl)propoxy]aniline
CAS No:85868-44-6
MF:C19H25N3O
MW:311.42130446434
CID:1846777
PubChem ID:55412
Update Time:2025-04-21
2-[3-(4-phenylpiperazin-1-yl)propoxy]aniline Chemical and Physical Properties
Names and Identifiers
-
- 2-[3-(4-phenylpiperazin-1-yl)propoxy]aniline
- 85868-44-6
- DTXSID10235149
- BRN 4534631
- 2-(3-(4-Phenyl-1-piperazinyl)propoxy)benzenamine
- BENZENAMINE, 2-(3-(4-PHENYL-1-PIPERAZINYL)PROPOXY)-
-
- Inchi： 1S/C19H25N3O/c20-18-9-4-5-10-19(18)23-16-6-11-21-12-14-22(15-13-21)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16,20H2
- InChI Key： GETZZYGZLIMDDA-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1N)CCCN1CCN(C2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 311.199762429g/mol
- Monoisotopic Mass: 311.199762429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 41.7?2
2-[3-(4-phenylpiperazin-1-yl)propoxy]aniline Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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