Cas no 681481-52-7 (2-Pyrimidinamine,5-ethyl-1,4,5,6-tetrahydro-4-methyl-(9CI))
681481-52-7 structure
Product Name:2-Pyrimidinamine,5-ethyl-1,4,5,6-tetrahydro-4-methyl-(9CI)
CAS No:681481-52-7
MF:C7H15N3
MW:141.214101076126
CID:969171
Update Time:2024-03-05
2-Pyrimidinamine,5-ethyl-1,4,5,6-tetrahydro-4-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrimidinamine,5-ethyl-1,4,5,6-tetrahydro-4-methyl-(9CI)
- 5-Ethyl-4-methyl-1,4,5,6-tetrahydro-2-pyrimidinamine
- 5-ethyl-6-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
- 2-Pyrimidinamine, 5-ethyl-3,4,5,6-tetrahydro-4-methyl-
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- Inchi： 1S/C7H15N3/c1-3-6-4-9-7(8)10-5(6)2/h5-6H,3-4H2,1-2H3,(H3,8,9,10)
- InChI Key： GXMTYUYOPYUHGI-UHFFFAOYSA-N
- SMILES： C1(N)=NCC(CC)C(C)N1
Computed Properties
- Exact Mass: 141.127
- Monoisotopic Mass: 141.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 50.4A^2
Experimental Properties
- Density: 1.16±0.1 g/cm3(Predicted)
- Boiling Point: 227.7±23.0 °C(Predicted)
- pka: 14.07±0.60(Predicted)
2-Pyrimidinamine,5-ethyl-1,4,5,6-tetrahydro-4-methyl-(9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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