Cas no 213262-04-5 (2-Benzoxazolamine, N-(3-methoxyphenyl)-)
213262-04-5 structure
Product Name:2-Benzoxazolamine, N-(3-methoxyphenyl)-
CAS No:213262-04-5
MF:C14H12N2O2
MW:240.257283210754
CID:1400570
PubChem ID:23563144
Update Time:2025-04-20
2-Benzoxazolamine, N-(3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzoxazolamine, N-(3-methoxyphenyl)-
- 213262-04-5
- n-(3-methoxyphenyl)benzo[d]oxazol-2-amine
- SCHEMBL3955874
- N-(3-METHOXYPHENYL)-1,3-BENZOXAZOL-2-AMINE
- DB-143728
-
- Inchi： 1S/C14H12N2O2/c1-17-11-6-4-5-10(9-11)15-14-16-12-7-2-3-8-13(12)18-14/h2-9H,1H3,(H,15,16)
- InChI Key： DUYZNNBHOFIAMO-UHFFFAOYSA-N
- SMILES： O1C(=NC2C=CC=CC1=2)NC1C=CC=C(C=1)OC
Computed Properties
- Exact Mass: 240.08996
- Monoisotopic Mass: 240.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 275
- 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: 3.3
- Topological Polar Surface Area: 47.3?2
Experimental Properties
- PSA: 47.29
2-Benzoxazolamine, N-(3-methoxyphenyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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