Cas no 188812-27-3 (Benzoic acid,3-[(4,5-dihydro-1H-imidazol-2-yl)amino]-)
![Benzoic acid,3-[(4,5-dihydro-1H-imidazol-2-yl)amino]- structure](https://ossimg.kuujia.com/scimg/189000/188812-27-3x500.png)
188812-27-3 structure
Product Name:Benzoic acid,3-[(4,5-dihydro-1H-imidazol-2-yl)amino]-
CAS No:188812-27-3
MF:C10H11N3O2
MW:205.213241815567
CID:115411
PubChem ID:20745302
Update Time:2025-04-18
Benzoic acid,3-[(4,5-dihydro-1H-imidazol-2-yl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-[(4,5-dihydro-1H-imidazol-2-yl)amino]-
- Benzoic acid, 3-[(4,5-dihydro-1H-imidazol-2-yl)amino]- (9CI)
- SCHEMBL7753126
- 3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid
- 188812-27-3
-
- Inchi： 1S/C10H11N3O2/c14-9(15)7-2-1-3-8(6-7)13-10-11-4-5-12-10/h1-3,6H,4-5H2,(H,14,15)(H2,11,12,13)
- InChI Key： YJXDHWJMANLZHD-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CC(=C1)NC1=NCCN1)=O
Computed Properties
- Exact Mass: 205.08523
- Monoisotopic Mass: 205.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 278
- 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: 0.6
- Topological Polar Surface Area: 73.7A^2
Experimental Properties
- PSA: 73.72
Benzoic acid,3-[(4,5-dihydro-1H-imidazol-2-yl)amino]- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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