Cas no 50466-20-1 (Benzoic acid,4-(aminoiminomethyl)-, phenyl ester)
50466-20-1 structure
Product Name:Benzoic acid,4-(aminoiminomethyl)-, phenyl ester
CAS No:50466-20-1
MF:C14H12N2O2
MW:240.257283210754
CID:370554
PubChem ID:128036
Update Time:2025-04-19
Benzoic acid,4-(aminoiminomethyl)-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(aminoiminomethyl)-, phenyl ester
- 4-Amidinophenylbenzoate
- 4-(aminoiminomethyl)-benzoic acid phenyl ester
- DTXSID00964698
- 50466-20-1
- phenyl 4-carbamimidoylbenzoate
- Benzoic acid, 4-(aminoiminomethyl)-, phenyl ester
- SCHEMBL5330655
-
- Inchi: 1S/C14H12N2O2/c15-13(16)10-6-8-11(9-7-10)14(17)18-12-4-2-1-3-5-12/h1-9H,(H3,15,16)
- InChI Key: IGTONLPXDLZDKC-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1)C(C1C=CC(C(=N)N)=CC=1)=O
Computed Properties
- Exact Mass: 240.08996
- Monoisotopic Mass: 240.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 303
- 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: 2.6
- Topological Polar Surface Area: 76.2?2
Experimental Properties
- Density: 1.21
- Boiling Point: 406.8°C at 760 mmHg
- Flash Point: 199.8°C
- Refractive Index: 1.602
- PSA: 76.17
Benzoic acid,4-(aminoiminomethyl)-, phenyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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