Cas no 61327-35-3 (Benzoic acid, 3-(hydroxymethyl)-4-(methylamino)-, ethyl ester)
61327-35-3 structure
Product Name:Benzoic acid, 3-(hydroxymethyl)-4-(methylamino)-, ethyl ester
CAS No:61327-35-3
MF:C11H15NO3
MW:209.241703271866
CID:483870
PubChem ID:71396899
Update Time:2025-04-19
Benzoic acid, 3-(hydroxymethyl)-4-(methylamino)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(hydroxymethyl)-4-(methylamino)-, ethyl ester
- ethyl 3-(hydroxymethyl)-4-(methylamino)benzoate
- DTXSID60818426
- 61327-35-3
-
- Inchi： 1S/C11H15NO3/c1-3-15-11(14)8-4-5-10(12-2)9(6-8)7-13/h4-6,12-13H,3,7H2,1-2H3
- InChI Key： JUHPMKVPZLUDHD-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(=C(CO)C=1)NC)=O
Computed Properties
- Exact Mass: 209.10525
- Monoisotopic Mass: 209.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 208
- 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: 58.6?2
Experimental Properties
- PSA: 58.56
Benzoic acid, 3-(hydroxymethyl)-4-(methylamino)-, ethyl ester Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
61327-35-3 (Benzoic acid, 3-(hydroxymethyl)-4-(methylamino)-, ethyl ester) Related Products
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