Cas no 61144-94-3 (Benzenamine, 2-(2,2-diethoxyethoxy)-)
61144-94-3 structure
Product Name:Benzenamine, 2-(2,2-diethoxyethoxy)-
CAS No:61144-94-3
MF:C12H19NO3
MW:225.284163713455
CID:490818
PubChem ID:12284629
Update Time:2025-04-19
Benzenamine, 2-(2,2-diethoxyethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-(2,2-diethoxyethoxy)-
- 2-(2,2-diethoxyethoxy)aniline
- 61144-94-3
- DTXSID80484369
- AKOS019659459
- SCHEMBL9371087
-
- Inchi： 1S/C12H19NO3/c1-3-14-12(15-4-2)9-16-11-8-6-5-7-10(11)13/h5-8,12H,3-4,9,13H2,1-2H3
- InChI Key： YNDZBMFIKASXGJ-UHFFFAOYSA-N
- SMILES： O(CC)C(COC1C=CC=CC=1N)OCC
Computed Properties
- Exact Mass: 225.13657
- Monoisotopic Mass: 225.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 172
- 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: 1.8
- Topological Polar Surface Area: 53.7?2
Experimental Properties
- PSA: 53.71
Benzenamine, 2-(2,2-diethoxyethoxy)- 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
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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