Cas no 1089278-99-8 (1-methyl-4-[(2-methyl-3-nitrophenyl)methyl]-Piperazine)
![1-methyl-4-[(2-methyl-3-nitrophenyl)methyl]-Piperazine structure](https://ossimg.kuujia.com/scimg/1089500/1089278-99-8x500.png)
1089278-99-8 structure
Product Name:1-methyl-4-[(2-methyl-3-nitrophenyl)methyl]-Piperazine
CAS No:1089278-99-8
MF:C13H19N3O2
MW:249.308862924576
CID:1098429
PubChem ID:59427904
Update Time:2025-04-20
1-methyl-4-[(2-methyl-3-nitrophenyl)methyl]-Piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-4-[(2-methyl-3-nitrophenyl)methyl]-Piperazine
- 1-methyl-4-[(2-methyl-3-nitrophenyl)methyl]piperazine
- 1-(2-methyl-3-nitrobenzyl)-4-methylpiperazine
- PMTACOKZNIJKSZ-UHFFFAOYSA-N
- 1089278-99-8
- DA-15736
- SCHEMBL310485
-
- Inchi： 1S/C13H19N3O2/c1-11-12(4-3-5-13(11)16(17)18)10-15-8-6-14(2)7-9-15/h3-5H,6-10H2,1-2H3
- InChI Key： PMTACOKZNIJKSZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(=C1C)CN1CCN(C)CC1)=O
Computed Properties
- Exact Mass: 249.147726857g/mol
- Monoisotopic Mass: 249.147726857g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 1.8
- Topological Polar Surface Area: 52.3?2
1-methyl-4-[(2-methyl-3-nitrophenyl)methyl]-Piperazine Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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