Cas no 247061-94-5 (2-((4-Benzylpiperazin-1-yl)methyl)benzoic acid)
247061-94-5 structure
Product Name:2-((4-Benzylpiperazin-1-yl)methyl)benzoic acid
CAS No:247061-94-5
MF:C19H22N2O2
MW:310.390184879303
CID:246072
PubChem ID:22684090
Update Time:2025-04-19
2-((4-Benzylpiperazin-1-yl)methyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-((4-Benzylpiperazin-1-yl)methyl)benzoic acid
- 2-[(4-benzylpiperazin-1-yl)methyl]benzoic acid
- Benzoic acid,2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-
- LogP
- AKOS016846122
- DTXSID80627572
- FT-0604272
- 2-(4-BENZYLPIPERAZIN-1-YLMETHYL)BENZOIC ACID
- 247061-94-5
- 2-(4-Benzylpiperazin-1-ylmethyl)benzoic?acid
- Benzoic acid, 2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-
- SCHEMBL7484815
- A5062
-
- MDL： MFCD09718630
- Inchi： 1S/C19H22N2O2/c22-19(23)18-9-5-4-8-17(18)15-21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,23)
- InChI Key： VSKVFEGRVCGZQZ-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1CN1CCN(CC2C=CC=CC=2)CC1)=O
Computed Properties
- Exact Mass: 310.16826
- Monoisotopic Mass: 310.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 374
- 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
- Topological Polar Surface Area: 43.8A^2
- XLogP3: 0.3
Experimental Properties
- Density: 1.204
- Boiling Point: 461.7°C at 760 mmHg
- Flash Point: 233°C
- Refractive Index: 1.622
- PSA: 43.78
2-((4-Benzylpiperazin-1-yl)methyl)benzoic acid 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
247061-94-5 (2-((4-Benzylpiperazin-1-yl)methyl)benzoic acid) Related Products
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