Cas no 21312-48-1 (Methanone,(4-aminophenyl)(4-butyl-1-piperazinyl)-, hydrochloride (1:2))
21312-48-1 structure
Product Name:Methanone,(4-aminophenyl)(4-butyl-1-piperazinyl)-, hydrochloride (1:2)
CAS No:21312-48-1
MF:C15H25Cl2N3O
MW:334.284501791
CID:286684
PubChem ID:210583
Update Time:2025-04-19
Methanone,(4-aminophenyl)(4-butyl-1-piperazinyl)-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- (4-aminophenyl)-(4-butylpiperazin-1-yl)methanone,dihydrochloride
- Methanone,(4-aminophenyl)(4-butyl-1-piperazinyl)-, hydrochloride (1:2)
- DTXSID40175584
- 1-(p-Aminobenzoyl)-4-butylpiperazine dihydrochloride hydrate
- 21312-48-1
- Piperazine, 1-(p-aminobenzoyl)-4-butyl-, dihydrochloride, hydrate
-
- Inchi： 1S/C15H23N3O.2ClH/c1-2-3-8-17-9-11-18(12-10-17)15(19)13-4-6-14(16)7-5-13;;/h4-7H,2-3,8-12,16H2,1H3;2*1H
- InChI Key： HMPJILGJYHWPDK-UHFFFAOYSA-N
- SMILES： Cl.Cl.O=C(C1C=CC(=CC=1)N)N1CCN(CCCC)CC1
Computed Properties
- Exact Mass: 333.13775
- Monoisotopic Mass: 333.1374678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 279
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.6?2
Experimental Properties
- PSA: 49.57
Methanone,(4-aminophenyl)(4-butyl-1-piperazinyl)-, hydrochloride (1:2) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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
21312-48-1 (Methanone,(4-aminophenyl)(4-butyl-1-piperazinyl)-, hydrochloride (1:2)) Related Products
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