Cas no 933713-14-5 (Cyclopropanamine, 2-(4-methyl-2-thiazolyl)-)
933713-14-5 structure
Product Name:Cyclopropanamine, 2-(4-methyl-2-thiazolyl)-
CAS No:933713-14-5
MF:C7H10N2S
MW:154.232699871063
CID:999629
Update Time:2024-02-09
Cyclopropanamine, 2-(4-methyl-2-thiazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanamine, 2-(4-methyl-2-thiazolyl)-
- 2-(4-methyl-2-thiazolyl)Cyclopropanamine
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- Inchi: 1S/C7H10N2S/c1-4-3-10-7(9-4)5-2-6(5)8/h3,5-6H,2,8H2,1H3
- InChI Key: OZCSYLWBZYYVIZ-UHFFFAOYSA-N
- SMILES: C1(N)CC1C1=NC(C)=CS1
Computed Properties
- Exact Mass: 154.056
- Monoisotopic Mass: 154.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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
- Topological Polar Surface Area: 67.2A^2
Experimental Properties
- Density: 1.244±0.06 g/cm3(Predicted)
- Boiling Point: 258.7±33.0 °C(Predicted)
- pka: 8.24±0.40(Predicted)
Cyclopropanamine, 2-(4-methyl-2-thiazolyl)- Related Literature
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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