Cas no 60180-78-1 (Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1))
60180-78-1 structure
Product Name:Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1)
CAS No:60180-78-1
MF:C24H50N2O4
MW:430.664807796478
CID:2720563
PubChem ID:169778
Update Time:2025-04-21
Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1) Chemical and Physical Properties
Names and Identifiers
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- DTXSID5069388
- DTXCID8042769
- SCHEMBL11348906
- 60180-78-1
- Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1)
-
- Inchi： 1S/C12H28N2.C12H22O4/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-14H2;1-10H2,(H,13,14)(H,15,16)
- InChI Key： SWZJUAVKTJFUIS-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCC(=O)O)=O.NCCCCCCCCCCCCN
Computed Properties
- Exact Mass: 430.37705808Da
- Monoisotopic Mass: 430.37705808Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 22
- Complexity: 262
- 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?2
Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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