Cas no 3413-78-3 (acetic acid, [3-(4-carbamoylimidazol-5-yl)-2-triazeno]-, ethyl ester)
![acetic acid, [3-(4-carbamoylimidazol-5-yl)-2-triazeno]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/3500/3413-78-3x500.png)
3413-78-3 structure
Product Name:acetic acid, [3-(4-carbamoylimidazol-5-yl)-2-triazeno]-, ethyl ester
CAS No:3413-78-3
MF:C8H12N6O3
MW:240.21928024292
CID:918781
PubChem ID:252114
Update Time:2025-04-19
acetic acid, [3-(4-carbamoylimidazol-5-yl)-2-triazeno]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- acetic acid, [3-(4-carbamoylimidazol-5-yl)-2-triazeno]-, ethyl ester
- ethyl 2-[2-[(5-carbamoylimidazol-4-ylidene)amino]hydrazinyl]acetate
- NSC73316
- NSC-73316
- CHEMBL4216630
- 3413-78-3
- DTXSID10425624
-
- Inchi： 1S/C8H12N6O3/c1-2-17-5(15)3-12-14-13-8-6(7(9)16)10-4-11-8/h4H,2-3H2,1H3,(H2,9,16)(H,10,11)(H,12,13)
- InChI Key： TXNGTDMYUCCJRY-UHFFFAOYSA-N
- SMILES： O(C(C/N=N/NC1=C(C(N)=O)NC=N1)=O)CC
Computed Properties
- Exact Mass: 240.09726
- Monoisotopic Mass: 240.09708827g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 308
- 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
- Topological Polar Surface Area: 135?2
Experimental Properties
- PSA: 131.59
acetic acid, [3-(4-carbamoylimidazol-5-yl)-2-triazeno]-, ethyl ester Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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