Cas no 102900-04-9 (Hexanedioic acid, compd. with 1-octadecanamine (1:2))
102900-04-9 structure
Product Name:Hexanedioic acid, compd. with 1-octadecanamine (1:2)
CAS No:102900-04-9
MF:C42H88N2O4
MW:685.159133911133
CID:1137280
PubChem ID:44151838
Update Time:2025-04-20
Hexanedioic acid, compd. with 1-octadecanamine (1:2) Chemical and Physical Properties
Names and Identifiers
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- Hexanedioic acid, compd. with 1-octadecanamine (1:2)
- hexanedioic acid,octadecan-1-amine
- DTXSID40888809
- 102900-04-9
-
- Inchi： 1S/2C18H39N.C6H10O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-5(8)3-1-2-4-6(9)10/h2*2-19H2,1H3;1-4H2,(H,7,8)(H,9,10)
- InChI Key： AWVLILUZOUWLLR-UHFFFAOYSA-N
- SMILES： OC(CCCCC(=O)O)=O.NCCCCCCCCCCCCCCCCCC.NCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 684.674409g/mol
- Monoisotopic Mass: 684.674409g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 48
- Rotatable Bond Count: 37
- Complexity: 258
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 685.2g/mol
- Topological Polar Surface Area: 127?2
Hexanedioic acid, compd. with 1-octadecanamine (1:2) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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