Cas no 5955-71-5 (1H-Benzimidazol-2-amine, N,N-dimethyl-5-nitro-)
5955-71-5 structure
Product Name:1H-Benzimidazol-2-amine, N,N-dimethyl-5-nitro-
CAS No:5955-71-5
MF:C9H10N4O2
MW:206.20130109787
CID:338280
PubChem ID:12007126
Update Time:2025-04-19
1H-Benzimidazol-2-amine, N,N-dimethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-2-amine, N,N-dimethyl-5-nitro-
- SCHEMBL6606414
- 89843-43-6
- N,N-Dimethyl-6-nitro-1H-benzo[d]imidazol-2-amine
- N,N-Dimethyl-5-nitro-1H-benzo[d]imidazol-2-amine
- InChI=1/C9H10N4O2/c1-12(2)9-10-7-4-3-6(13(14)15)5-8(7)11-9/h3-5H,1-2H3,(H,10,11
- 5955-71-5
- Dimethyl-(5-nitro-1H-benzoimidazol-2-yl)-amine
-
- Inchi： 1S/C9H10N4O2/c1-12(2)9-10-7-4-3-6(13(14)15)5-8(7)11-9/h3-5H,1-2H3,(H,10,11)
- InChI Key： JYDFEZZIGCAYBA-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)NC(=N2)N(C)C)=O
Computed Properties
- Exact Mass: 206.0805
- Monoisotopic Mass: 206.08037557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 1.8
- Topological Polar Surface Area: 77.7?2
Experimental Properties
- PSA: 75.06
1H-Benzimidazol-2-amine, N,N-dimethyl-5-nitro- Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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