Cas no 50977-95-2 (3,6,12,15-Tetraoxa-9-azaheptadecane-1,17-diamine)
50977-95-2 structure
Product Name:3,6,12,15-Tetraoxa-9-azaheptadecane-1,17-diamine
CAS No:50977-95-2
MF:C12H29N3O4
MW:279.376363515854
CID:2829551
PubChem ID:19091663
Update Time:2025-04-21
3,6,12,15-Tetraoxa-9-azaheptadecane-1,17-diamine Chemical and Physical Properties
Names and Identifiers
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- DTXSID70597992
- SCHEMBL9437143
- 3,6,12,15-Tetraoxa-9-azaheptadecane-1,17-diamine
- 50977-95-2
-
- Inchi： 1S/C12H29N3O4/c13-1-5-16-9-11-18-7-3-15-4-8-19-12-10-17-6-2-14/h15H,1-14H2
- InChI Key： RFWWBTAUEWFYBA-UHFFFAOYSA-N
- SMILES： O(CCOCCN)CCNCCOCCOCCN
Computed Properties
- Exact Mass: 279.21580641Da
- Monoisotopic Mass: 279.21580641Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 16
- Complexity: 148
- 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: -2.7
- Topological Polar Surface Area: 101?2
3,6,12,15-Tetraoxa-9-azaheptadecane-1,17-diamine Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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