Cas no 52235-79-7 (hexanedioic acid - undecane-1,11-diamine (1:1))
52235-79-7 structure
Product Name:hexanedioic acid - undecane-1,11-diamine (1:1)
CAS No:52235-79-7
MF:C17H36N2O4
MW:332.47874546051
CID:1579941
PubChem ID:6452597
Update Time:2025-04-21
hexanedioic acid - undecane-1,11-diamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- hexanedioic acid - undecane-1,11-diamine (1:1)
- SCHEMBL7551602
- DTXSID1068722
- 69175-20-8
- 52235-79-7
-
- Inchi： 1S/C11H26N2.C6H10O4/c12-10-8-6-4-2-1-3-5-7-9-11-13;7-5(8)3-1-2-4-6(9)10/h1-13H2;1-4H2,(H,7,8)(H,9,10)
- InChI Key： DGMZXOMIRKMHEF-UHFFFAOYSA-N
- SMILES： OC(CCCCC(=O)O)=O.NCCCCCCCCCCCN
Computed Properties
- Exact Mass: 332.26768
- Monoisotopic Mass: 332.267508
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 188
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 127
Experimental Properties
- Boiling Point: 255.7°C at 760 mmHg
- Flash Point: 140.1°C
- PSA: 126.64
hexanedioic acid - undecane-1,11-diamine (1:1) Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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