Cas no 177843-43-5 (1H-Benzimidazol-6-amine,1-(2-methylpropyl)-)
177843-43-5 structure
Product Name:1H-Benzimidazol-6-amine,1-(2-methylpropyl)-
CAS No:177843-43-5
MF:C11H15N3
MW:189.256901979446
CID:112738
PubChem ID:18379803
Update Time:2025-04-18
1H-Benzimidazol-6-amine,1-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-6-amine,1-(2-methylpropyl)-
- 1H-Benzimidazol-6-amine,1-(2-methylpropyl)-(9CI)
- SCHEMBL7030876
- 3-(2-methylpropyl)benzimidazol-5-amine
- 3-isobutyl-5-aminobenzimidazole
- SRHMJBFSZVNDEY-UHFFFAOYSA-N
- 177843-43-5
- 1-isobutyl-1H-benzo[d]imidazol-6-amine
-
- Inchi： 1S/C11H15N3/c1-8(2)6-14-7-13-10-4-3-9(12)5-11(10)14/h3-5,7-8H,6,12H2,1-2H3
- InChI Key： SRHMJBFSZVNDEY-UHFFFAOYSA-N
- SMILES： N1(C=NC2C=CC(=CC1=2)N)CC(C)C
Computed Properties
- Exact Mass: 189.12675
- Monoisotopic Mass: 189.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 193
- 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
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 43.84
1H-Benzimidazol-6-amine,1-(2-methylpropyl)- Related Literature
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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