Cas no 41348-55-4 ( )
structure
Product Name:
CAS No:41348-55-4
MF:C10H23NO2
MW:189.295123338699
CID:926882
PubChem ID:290254
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- CTK2F6270; AKOS006353476; F3284-6998; N-Methyl-3-imino-2,2-dimethylpropanal-diethylacetal; AC1L8A9Z; (3,3-diethoxy-2,2-dimethyl-propyl)-methyl-amine; (3,3-Diaethoxy-2,2-dimethyl-propyl)-methyl-amin; ZINC17106102; MCULE-2524636855; AKOS002354628; 3-Methylamino-2.2-dimethyl-propionaldehyd-diaethylacetal; 3-methylamino-4H-[1,2,4]triazin-5-one; NSC289367; 3-Methylamino-2,5-dihydro-5-oxo-1,2,4-triazin;
- DTXSID30961635
- NSC153346
- NSC-153346
- 41348-55-4
- 3,3-diethoxy-n,2,2-trimethylpropan-1-amine
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- Inchi： 1S/C10H23NO2/c1-6-12-9(13-7-2)10(3,4)8-11-5/h9,11H,6-8H2,1-5H3
- InChI Key： HWFDEQORXVXFTD-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C)(C)CNC)OCC
Computed Properties
- Exact Mass: 189.17300
- Monoisotopic Mass: 189.172878976g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 120
- 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: 1.6
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 30.49000
- LogP: 2.02200
Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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