Cas no 72968-70-8 (Dodecanedioic acid, compd. with 1,11-undecanediamine (1:1))
72968-70-8 structure
Product Name:Dodecanedioic acid, compd. with 1,11-undecanediamine (1:1)
CAS No:72968-70-8
MF:C23H48N2O4
MW:416.638227462769
CID:2711832
PubChem ID:44151034
Update Time:2025-04-21
Dodecanedioic acid, compd. with 1,11-undecanediamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- dodecanedioic acid,undecane-1,11-diamine
- DTXCID7047439
- DTXSID1072686
- 72968-70-8
- Dodecanedioic acid, compd. with 1,11-undecanediamine (1:1)
-
- Inchi： 1S/C12H22O4.C11H26N2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;12-10-8-6-4-2-1-3-5-7-9-11-13/h1-10H2,(H,13,14)(H,15,16);1-13H2
- InChI Key： YXVDTEGYUWOITN-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCC(=O)O)=O.NCCCCCCCCCCCN
Computed Properties
- Exact Mass: 416.36140802Da
- Monoisotopic Mass: 416.36140802Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 21
- Complexity: 253
- 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 1,11-undecanediamine (1:1) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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