Cas no 1018499-29-0 (2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-Benzenamine)
![2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-Benzenamine structure](https://ossimg.kuujia.com/scimg/1018500/1018499-29-0x500.png)
1018499-29-0 structure
Product Name:2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-Benzenamine
CAS No:1018499-29-0
MF:C13H21N3
MW:219.325942754745
CID:1096455
PubChem ID:28721681
Update Time:2025-04-20
2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-Benzenamine Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-Benzenamine
- 2-methyl-3-((4-methylpiperazin-1-yl)methyl)benzeneamine
- SCHEMBL309875
- 1018499-29-0
- UPGWEMVDPJIXSM-UHFFFAOYSA-N
- 2-methyl-3-[(4-methyl-1-piperazinyl)methyl]aniline
- DA-16318
-
- Inchi： 1S/C13H21N3/c1-11-12(4-3-5-13(11)14)10-16-8-6-15(2)7-9-16/h3-5H,6-10,14H2,1-2H3
- InChI Key： UPGWEMVDPJIXSM-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=C(C=2C)N)CCN(C)CC1
Computed Properties
- Exact Mass: 219.173548g/mol
- Monoisotopic Mass: 219.173548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 211
- 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
- Molecular Weight: 219.33g/mol
- XLogP3: 1.3
- Topological Polar Surface Area: 32.5?2
2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-Benzenamine Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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