Cas no 105995-42-4 (Benzoic acid, 3,5-bis(aminomethyl)-, methyl ester)
105995-42-4 structure
Product Name:Benzoic acid, 3,5-bis(aminomethyl)-, methyl ester
CAS No:105995-42-4
MF:C10H14N2O2
MW:194.230362415314
CID:1173195
PubChem ID:15208142
Update Time:2025-04-20
Benzoic acid, 3,5-bis(aminomethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,5-bis(aminomethyl)-, methyl ester
- 105995-42-4
- Benzoic acid, 3,5-bis(aminomethyl)methyl ester
- AKOS026751487
- BVRBASQKOXPGDX-UHFFFAOYSA-N
- SCHEMBL8719755
- methyl 3,5-bis(aminomethyl)benzoate
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- Inchi： 1S/C10H14N2O2/c1-14-10(13)9-3-7(5-11)2-8(4-9)6-12/h2-4H,5-6,11-12H2,1H3
- InChI Key： BVRBASQKOXPGDX-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(CN)C=C(CN)C=1)=O
Computed Properties
- Exact Mass: 194.10562
- Monoisotopic Mass: 194.105527694g/mol
- 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: -0.5
- Topological Polar Surface Area: 78.3?2
Experimental Properties
- PSA: 78.34
Benzoic acid, 3,5-bis(aminomethyl)-, methyl ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
105995-42-4 (Benzoic acid, 3,5-bis(aminomethyl)-, methyl ester) Related Products
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