Cas no 90641-79-5 (acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester)
90641-79-5 structure
Product Name:acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester
CAS No:90641-79-5
MF:C8H13N3O3
MW:199.207121610641
CID:861247
PubChem ID:253042
Update Time:2025-04-19
acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester
- phosphanylidyneyttrium
- DTXSID40920258
- NSC75437
- 90641-79-5
- Ethyl N-{[(2-cyanoethyl)imino](hydroxy)methyl}glycinate
- NSC-75437
-
- Inchi: 1S/C8H13N3O3/c1-2-14-7(12)6-11-8(13)10-5-3-4-9/h2-3,5-6H2,1H3,(H2,10,11,13)
- InChI Key: IGKSODBCEFQNCG-UHFFFAOYSA-N
- SMILES: O(CC)C(CNC(NCCC#N)=O)=O
Computed Properties
- Exact Mass: 199.096
- Monoisotopic Mass: 199.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 244
- 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: -0.7
- Topological Polar Surface Area: 91.2?2
Experimental Properties
- Density: 1.156
- Boiling Point: 445.9°C at 760 mmHg
- Flash Point: 223.5°C
- Refractive Index: 1.469
acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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