Cas no 146498-29-5 (1(2H)-Pyrimidinecarboxaldehyde, tetrahydro-3,5,5-trimethyl- (9CI))
146498-29-5 structure
Product Name:1(2H)-Pyrimidinecarboxaldehyde, tetrahydro-3,5,5-trimethyl- (9CI)
CAS No:146498-29-5
MF:C8H16N2O
MW:156.225441932678
CID:105509
PubChem ID:15043697
Update Time:2025-04-18
1(2H)-Pyrimidinecarboxaldehyde, tetrahydro-3,5,5-trimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-Pyrimidinecarboxaldehyde, tetrahydro-3,5,5-trimethyl- (9CI)
- 1(2H)-Pyrimidinecarboxaldehyde,tetrahydro-3,5,5-trimethyl-
- 3,5,5-trimethyl-1,3-diazinane-1-carbaldehyde
- 1(2H)-Pyrimidinecarboxaldehyde,tetrahydro-3,5,5-trimethyl-(9ci)
- 3,5,5-Trimethyltetrahydropyrimidine-1(2H)-carbaldehyde
- 146498-29-5
-
- Inchi： 1S/C8H16N2O/c1-8(2)4-9(3)6-10(5-8)7-11/h7H,4-6H2,1-3H3
- InChI Key： PMJHHJJKPCDWGY-UHFFFAOYSA-N
- SMILES： O=CN1CN(C)CC(C)(C)C1
Computed Properties
- Exact Mass: 156.12638
- Monoisotopic Mass: 156.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 156
- 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: 0.8
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 23.55
1(2H)-Pyrimidinecarboxaldehyde, tetrahydro-3,5,5-trimethyl- (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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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