Cas no 105564-15-6 (1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-diisocyanatohexane and methyloxirane, Me Et ketone oxime-blocked)
105564-15-6 structure
Product Name:1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-diisocyanatohexane and methyloxirane, Me Et ketone oxime-blocked
CAS No:105564-15-6
MF:C6H13NO14S3
MW:419.360719442368
CID:191879
Update Time:2023-04-06
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-diisocyanatohexane and methyloxirane, Me Et ketone oxime-blocked Chemical and Physical Properties
Names and Identifiers
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- 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-diisocyanatohexane and methyloxirane, Me Et ketone oxime-blocked
- 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-amino-1,3,3-trimethylcyclohexaneme...
- 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-diisocyanatohexa
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- Inchi： 1S/C6H13NO14S3/c8-4-2(1-19-23(13,14)15)20-6(9)3(7-22(10,11)12)5(4)21-24(16,17)18/h2-9H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t2-,3-,4-,5-,6+/m1/s1
- InChI Key： VPSCBZXJXYLJOH-UKFBFLRUSA-N
- SMILES： S(N[C@@H]1[C@@H](OS(O)(=O)=O)[C@H](O)[C@@H](COS(O)(=O)=O)O[C@@H]1O)(O)(=O)=O
Computed Properties
- Exact Mass: 418.95
- Monoisotopic Mass: 418.95
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 725
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 268A^2
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-diisocyanatohexane and methyloxirane, Me Et ketone oxime-blocked 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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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