Cas no 5625-68-3 (1,2-Benzenediamine, N-[2-(1-piperidinyl)ethyl]-)
![1,2-Benzenediamine, N-[2-(1-piperidinyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/6000/5625-68-3x500.png)
5625-68-3 structure
Product Name:1,2-Benzenediamine, N-[2-(1-piperidinyl)ethyl]-
CAS No:5625-68-3
MF:C13H21N3
MW:219.325942754745
CID:349398
PubChem ID:11608234
Update Time:2025-04-19
1,2-Benzenediamine, N-[2-(1-piperidinyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, N-[2-(1-piperidinyl)ethyl]-
- 2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine
- 5625-68-3
- DTXSID90469369
- N1-(2-(Piperidin-1-yl)ethyl)benzene-1,2-diamine
- AKOS010783844
- SCHEMBL5884397
-
- Inchi： 1S/C13H21N3/c14-12-6-2-3-7-13(12)15-8-11-16-9-4-1-5-10-16/h2-3,6-7,15H,1,4-5,8-11,14H2
- InChI Key： MNIDKMZFDIYUBL-UHFFFAOYSA-N
- SMILES： N1(CCNC2C=CC=CC=2N)CCCCC1
Computed Properties
- Exact Mass: 219.17373
- Monoisotopic Mass: 219.173547683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 190
- 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: 2.1
- Topological Polar Surface Area: 41.3?2
Experimental Properties
- PSA: 41.29
1,2-Benzenediamine, N-[2-(1-piperidinyl)ethyl]- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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