Cas no 89611-01-8 (Benzoic acid,3,5-bis(methylamino)-, methyl ester)
89611-01-8 structure
Product Name:Benzoic acid,3,5-bis(methylamino)-, methyl ester
CAS No:89611-01-8
MF:C10H14N2O2
MW:194.230362415314
CID:712113
PubChem ID:45089335
Update Time:2025-04-19
Benzoic acid,3,5-bis(methylamino)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-bis(methylamino)-, methyl ester
- Benzoic acid, 3,5-bis(methylamino)-, methyl ester (9CI)
- DTXSID801292997
- SCHEMBL10932496
- Methyl 3,5-bis(methylamino)benzoate
- 89611-01-8
-
- Inchi： 1S/C10H14N2O2/c1-11-8-4-7(10(13)14-3)5-9(6-8)12-2/h4-6,11-12H,1-3H3
- InChI Key： KVBVAFAGNOGWPJ-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C=C(C=1)NC)NC)=O
Computed Properties
- Exact Mass: 194.106
- Monoisotopic Mass: 194.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 185
- 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: 2.2
- Topological Polar Surface Area: 50.4A^2
Benzoic acid,3,5-bis(methylamino)-, methyl ester Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
89611-01-8 (Benzoic acid,3,5-bis(methylamino)-, methyl ester) Related Products
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