Cas no 15676-12-7 (Benzoic acid, 4-(aminoiminomethyl)-, ethyl ester)
15676-12-7 structure
Product Name:Benzoic acid, 4-(aminoiminomethyl)-, ethyl ester
CAS No:15676-12-7
MF:C10H12N2O2
MW:192.214482307434
CID:1332208
PubChem ID:21529
Update Time:2025-04-20
Benzoic acid, 4-(aminoiminomethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(aminoiminomethyl)-, ethyl ester
- ethyl 4-amidinobenzoate
- ethyl 4-carbamimidoylbenzoate
- 15676-12-7
- p-carbethoxy-benzamidine
- SCHEMBL429412
- DTXSID00274709
-
- MDL： MFCD00029548
- Inchi： 1S/C10H12N2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H3,11,12)
- InChI Key： SEBINEYTXBJXOB-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(C(=N)N)=CC=1)=O
Computed Properties
- Exact Mass: 192.08996
- Monoisotopic Mass: 192.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 220
- 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: 76.2?2
Experimental Properties
- PSA: 76.17
Benzoic acid, 4-(aminoiminomethyl)-, ethyl ester Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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