Cas no 794471-60-6 (3,5-Pyridinediamine,2-(3,5-dimethyl-1-piperidinyl)-)
794471-60-6 structure
Product Name:3,5-Pyridinediamine,2-(3,5-dimethyl-1-piperidinyl)-
CAS No:794471-60-6
MF:C12H20N4
MW:220.314002037048
CID:556361
PubChem ID:21082852
Update Time:2025-04-19
3,5-Pyridinediamine,2-(3,5-dimethyl-1-piperidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyridinediamine,2-(3,5-dimethyl-1-piperidinyl)-
- 3,5-Pyridinediamine,2-(3,5-dimethyl-1-piperidinyl)-(9CI)
- 2-(3,5-Dimethyl-1-piperidinyl)-3,5-pyridinediamine
- 794471-60-6
- SCHEMBL4673606
-
- Inchi： 1S/C12H20N4/c1-8-3-9(2)7-16(6-8)12-11(14)4-10(13)5-15-12/h4-5,8-9H,3,6-7,13-14H2,1-2H3
- InChI Key： UKPBBCTZVDDLDQ-UHFFFAOYSA-N
- SMILES： N1(C2C(=CC(=CN=2)N)N)CC(C)CC(C)C1
Computed Properties
- Exact Mass: 220.16879665g/mol
- Monoisotopic Mass: 220.16879665g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 68.2?2
3,5-Pyridinediamine,2-(3,5-dimethyl-1-piperidinyl)- Related Literature
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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