Cas no 821780-17-0 (Pyrimidine,hexahydro-1-methyl-3-(2,4,6-trimethylphenyl)-)
821780-17-0 structure
Product Name:Pyrimidine,hexahydro-1-methyl-3-(2,4,6-trimethylphenyl)-
CAS No:821780-17-0
MF:C14H22N2
MW:218.337883472443
CID:715801
PubChem ID:45097550
Update Time:2025-04-19
Pyrimidine,hexahydro-1-methyl-3-(2,4,6-trimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,hexahydro-1-methyl-3-(2,4,6-trimethylphenyl)-
- Pyrimidine, hexahydro-1-methyl-3-(2,4,6-trimethylphenyl)- (9CI)
- 1-Mesityl-3-methylhexahydropyrimidine
- 821780-17-0
-
- Inchi： 1S/C14H22N2/c1-11-8-12(2)14(13(3)9-11)16-7-5-6-15(4)10-16/h8-9H,5-7,10H2,1-4H3
- InChI Key： JPWCOOMMBPRSLD-UHFFFAOYSA-N
- SMILES： N1(C2C(C)=CC(C)=CC=2C)CN(C)CCC1
Computed Properties
- Exact Mass: 218.178
- Monoisotopic Mass: 218.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 217
- 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
- Topological Polar Surface Area: 6.5A^2
- XLogP3: 3.4
Pyrimidine,hexahydro-1-methyl-3-(2,4,6-trimethylphenyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
821780-17-0 (Pyrimidine,hexahydro-1-methyl-3-(2,4,6-trimethylphenyl)-) Related Products
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