Cas no 1098351-02-0 (4-amino-N-(2-hydroxyethyl)-N-methylbenzamide)
1098351-02-0 structure
Product Name:4-amino-N-(2-hydroxyethyl)-N-methylbenzamide
CAS No:1098351-02-0
MF:C10H14N2O2
MW:194.230362415314
CID:5688550
PubChem ID:43345855
Update Time:2023-09-27
4-amino-N-(2-hydroxyethyl)-N-methylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL12459914
- AKOS000283202
- STK697336
- AB01329392-02
- 4-Amino-N-(2-hydroxy-ethyl)-N-methyl-benza mide
- VS-02120
- 1098351-02-0
- BB 0242882
- 4-amino-N-(2-hydroxyethyl)-N-methylbenzamide
- BBL009622
- NCGC00337323-01
- Benzamide, 4-amino-N-(2-hydroxyethyl)-N-methyl-
-
- Inchi： 1S/C10H14N2O2/c1-12(6-7-13)10(14)8-2-4-9(11)5-3-8/h2-5,13H,6-7,11H2,1H3
- InChI Key： QOCMQBSNSKYHSG-UHFFFAOYSA-N
- SMILES： OCCN(C)C(C1C=CC(=CC=1)N)=O
Computed Properties
- Exact Mass: 194.105527694g/mol
- Monoisotopic Mass: 194.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 189
- 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
- Topological Polar Surface Area: 66.6?2
Experimental Properties
- Density: 1.206±0.06 g/cm3(Predicted)
- Boiling Point: 433.2±30.0 °C(Predicted)
- pka: 14.51±0.10(Predicted)
4-amino-N-(2-hydroxyethyl)-N-methylbenzamide Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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