Cas no 21577-26-4 (1H-Benzimidazol-7-amine,1,2-dimethyl-)
21577-26-4 structure
Product Name:1H-Benzimidazol-7-amine,1,2-dimethyl-
CAS No:21577-26-4
MF:C9H11N3
MW:161.203741312027
CID:249901
Update Time:2024-01-26
1H-Benzimidazol-7-amine,1,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-7-amine,1,2-dimethyl-
- Benzimidazole,7-amino-1,2-dimethyl- (6CI,8CI)
- Benzimidazole,7-amino-1,2-dimethyl-(6CI,8CI)
- 1H-Benzimidazol-7-amine, 1,2-dimethyl-
-
- Inchi： 1S/C9H11N3/c1-6-11-8-5-3-4-7(10)9(8)12(6)2/h3-5H,10H2,1-2H3
- InChI Key： MDOKBVXKWWFHKS-UHFFFAOYSA-N
- SMILES： C1(C)N(C)C2=C(N)C=CC=C2N=1
Computed Properties
- Exact Mass: 161.09543
- Monoisotopic Mass: 161.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 171
- 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
- Topological Polar Surface Area: 43.8A^2
Experimental Properties
- Density: 1.23±0.1 g/cm3(Predicted)
- Melting Point: 150-151 °C
- Boiling Point: 377.3±15.0 °C(Predicted)
- PSA: 43.84
- pka: 6.49±0.10(Predicted)
1H-Benzimidazol-7-amine,1,2-dimethyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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