Cas no 5824-61-3 (3-Pyridinecarboxamide,N-[3-(acetylamino)propyl]-)
![3-Pyridinecarboxamide,N-[3-(acetylamino)propyl]- structure](https://ossimg.kuujia.com/scimg/6000/5824-61-3x500.png)
5824-61-3 structure
Product Name:3-Pyridinecarboxamide,N-[3-(acetylamino)propyl]-
CAS No:5824-61-3
MF:C18H19BrN2O
MW:359.260263681412
CID:382974
PubChem ID:1112870
Update Time:2025-04-19
3-Pyridinecarboxamide,N-[3-(acetylamino)propyl]- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide,N-[3-(acetylamino)propyl]-
- [4-[(4-bromophenyl)methyl]piperazin-1-yl]-phenylmethanone
- [4-(4-Bromo-benzyl)-piperazin-1-yl]-phenyl-methanone
- methanone, [4-[(4-bromophenyl)methyl]-1-piperazinyl]phenyl-
- [4-(4-BROMOBENZYL)PIPERAZINO](PHENYL)METHANONE
- DTXSID90360443
- CCG-318157
- AKOS000553328
- 1-benzoyl-4-(4-bromobenzyl)piperazine
- 5824-61-3
- ST034038
- Oprea1_370385
- AB00098432-01
- Oprea1_808435
-
- Inchi： 1S/C18H19BrN2O/c19-17-8-6-15(7-9-17)14-20-10-12-21(13-11-20)18(22)16-4-2-1-3-5-16/h1-9H,10-14H2
- InChI Key： CLEISASRGQIHJF-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CN1CCN(C(C2C=CC=CC=2)=O)CC1
Computed Properties
- Exact Mass: 358.06817
- Monoisotopic Mass: 358.06808g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 354
- 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: 2.5
- Surface Charge: 0
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- Density: 1.381
- Boiling Point: 473.9°Cat760mmHg
- Flash Point: 240.4°C
- Refractive Index: 1.626
- PSA: 23.55
- LogP: 2.5
3-Pyridinecarboxamide,N-[3-(acetylamino)propyl]- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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