Cas no 885273-48-3 (4-Oxazolemethanamine,2-(1,3-benzodioxol-5-yl)-)
885273-48-3 structure
Product Name:4-Oxazolemethanamine,2-(1,3-benzodioxol-5-yl)-
CAS No:885273-48-3
MF:C11H10N2O3
MW:218.20870256424
CID:711024
Update Time:2024-01-31
4-Oxazolemethanamine,2-(1,3-benzodioxol-5-yl)- Chemical and Physical Properties
Names and Identifiers
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- 4-Oxazolemethanamine,2-(1,3-benzodioxol-5-yl)-
- 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-oxazol-4-amine
- 2-BENZO[1,3]DIOXOL-5-YL-OXAZOL-4-YL-METHYLAMINE
- C-(2-BENZO[1,3]DIOXOL-5-YL-OXAZOL-4-YL)-METHYLAMINE
- 2-(1,3-benzodioxol-5-yl)-4-Oxazolemethanamine
- 4-Oxazolemethanamine, 2-(1,3-benzodioxol-5-yl)-
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- Inchi： 1S/C11H10N2O3/c12-4-8-5-14-11(13-8)7-1-2-9-10(3-7)16-6-15-9/h1-3,5H,4,6,12H2
- InChI Key： QJARZYMWPNQKON-UHFFFAOYSA-N
- SMILES： O1C=C(CN)N=C1C1=CC=C2OCOC2=C1
Computed Properties
- Exact Mass: 218.06900
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 251
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.1
Experimental Properties
- Density: 1.347±0.06 g/cm3(Predicted)
- Boiling Point: 389.8±52.0 °C(Predicted)
- PSA: 70.51000
- LogP: 2.22930
- pka: 7.29±0.29(Predicted)
4-Oxazolemethanamine,2-(1,3-benzodioxol-5-yl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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