Cas no 100528-00-5 (Carbamimidic acid, N,N'-bis(1-methylethyl)-, cyclohexyl ester)
100528-00-5 structure
Product Name:Carbamimidic acid, N,N'-bis(1-methylethyl)-, cyclohexyl ester
CAS No:100528-00-5
MF:C13H26N2O
MW:226.358343601227
CID:1125843
PubChem ID:13902480
Update Time:2025-04-20
Carbamimidic acid, N,N'-bis(1-methylethyl)-, cyclohexyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamimidic acid, N,N'-bis(1-methylethyl)-, cyclohexyl ester
- cyclohexyl N,N'-di(propan-2-yl)carbamimidate
- DTXSID90552169
- Cyclohexyl N,N'-dipropan-2-ylcarbamimidate
- 100528-00-5
-
- Inchi： 1S/C13H26N2O/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,14,15)
- InChI Key： WJKYHDPCKHDPRM-UHFFFAOYSA-N
- SMILES： O(/C(=N/C(C)C)/NC(C)C)C1CCCCC1
Computed Properties
- Exact Mass: 226.20468
- Monoisotopic Mass: 226.204513457g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 218
- 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: 3.4
- Topological Polar Surface Area: 33.6?2
Experimental Properties
- PSA: 33.62
Carbamimidic acid, N,N'-bis(1-methylethyl)-, cyclohexyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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