Cas no 102787-23-5 (1-Piperazinemethanamine,N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-4-methyl-a-(nitromethylene)-)
![1-Piperazinemethanamine,N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-4-methyl-a-(nitromethylene)- structure](https://ossimg.kuujia.com/scimg/103000/102787-23-5x500.png)
102787-23-5 structure
Product Name:1-Piperazinemethanamine,N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-4-methyl-a-(nitromethylene)-
CAS No:102787-23-5
MF:C17H29N5O3S
MW:383.508862257004
CID:229315
PubChem ID:20234085
Update Time:2025-04-19
1-Piperazinemethanamine,N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-4-methyl-a-(nitromethylene)- Chemical and Physical Properties
Names and Identifiers
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- 1-Piperazinemethanamine,N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-4-methyl-a-(nitromethylene)-
- (E)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-(4-methylpiperazin-1-yl)-2-nitroethenamine
- 1-Piperazinemethanamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4-methyl-alpha-(nitromethylene)-
- 102787-23-5
- Methylpiperazino-ranitidine
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- Inchi： 1S/C17H29N5O3S/c1-19(2)12-15-4-5-16(25-15)14-26-11-6-18-17(13-22(23)24)21-9-7-20(3)8-10-21/h4-5,13,18H,6-12,14H2,1-3H3/b17-13+
- InChI Key： LBKISORLSHHLLV-GHRIWEEISA-N
- SMILES： S(CC1=CC=C(CN(C)C)O1)CCN/C(=C\[N+](=O)[O-])/N1CCN(C)CC1
Computed Properties
- Exact Mass: 383.199111g/mol
- Monoisotopic Mass: 383.199111g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 9
- Complexity: 464
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 383.5g/mol
- XLogP3: 0.2
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 106.01000
- LogP: 2.27690
1-Piperazinemethanamine,N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-4-methyl-a-(nitromethylene)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
102787-23-5 (1-Piperazinemethanamine,N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-4-methyl-a-(nitromethylene)-) Related Products
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