Cas no 89705-82-8 (2-Benzoxazolamine, N-2-butynyl-)
89705-82-8 structure
Product Name:2-Benzoxazolamine, N-2-butynyl-
CAS No:89705-82-8
MF:C11H10N2O
MW:186.20990228653
CID:591929
PubChem ID:10797635
Update Time:2025-04-19
2-Benzoxazolamine, N-2-butynyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzoxazolamine, N-2-butynyl-
- N-but-2-ynyl-1,3-benzoxazol-2-amine
- SCHEMBL7540148
- DTXSID30444993
- 89705-82-8
-
- Inchi: 1S/C11H10N2O/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7H,8H2,1H3,(H,12,13)
- InChI Key: VZMJXTIWACAYNZ-UHFFFAOYSA-N
- SMILES: O1C(NCC#CC)=NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 186.079312947g/mol
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 253
- 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: 2.4
- Topological Polar Surface Area: 38.1?2
2-Benzoxazolamine, N-2-butynyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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