Cas no 387864-94-0 (Benzenamine,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-)
![Benzenamine,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]- structure](https://ossimg.kuujia.com/scimg/388000/387864-94-0x500.png)
387864-94-0 structure
Product Name:Benzenamine,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-
CAS No:387864-94-0
MF:C10H13N3
MW:175.230321645737
CID:298813
PubChem ID:11355792
Update Time:2025-04-19
Benzenamine,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-
- 3-((4,5-Dihydro-1H-imidazol-2-yl)methyl)aniline
- 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
- SCHEMBL5827600
- DTXSID20463294
- 387864-94-0
- IMAIURYQIJMVFA-UHFFFAOYSA-N
-
- Inchi： 1S/C10H13N3/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h1-3,6H,4-5,7,11H2,(H,12,13)
- InChI Key： IMAIURYQIJMVFA-UHFFFAOYSA-N
- SMILES： N1CCN=C1CC1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 175.11109
- Monoisotopic Mass: 175.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 200
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 50.41
Benzenamine,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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