Cas no 355115-85-4 (1H-Benzimidazole-5,6-diamine,hydrochloride (1:3))
355115-85-4 structure
Product Name:1H-Benzimidazole-5,6-diamine,hydrochloride (1:3)
CAS No:355115-85-4
MF:C7H11Cl3N4
MW:257.54803776741
CID:303107
PubChem ID:44784953
Update Time:2025-04-19
1H-Benzimidazole-5,6-diamine,hydrochloride (1:3) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-5,6-diamine,hydrochloride (1:3)
- 1H-Benzimidazole-5,6-diamine trihydrochloride
- 5,6-Diaminobenzimidazole Trihydrochloride DISCONTINUED See D416201
- 5,6-DIAMINOBENZIMIDAZOLE TRIHYDROCHLORIDE DISCONTINUED SEE D416201,OFF-WHITE SOLID
- 1H-Benzimidazole-5,6-diamine,trihydrochloride (9CI)
- 5,6-Diaminobenzimidazole trihydrochloride
- starbld0005533
- 1H-benzimidazole-5,6-diamine;trihydrochloride
- 1H-Benzo[d]imidazole-5,6-diamine trihydrochloride
- DISCONTINUED See D416201''
- 355115-85-4
-
- Inchi： 1S/C7H8N4.3ClH/c8-4-1-6-7(2-5(4)9)11-3-10-6;;;/h1-3H,8-9H2,(H,10,11);3*1H
- InChI Key： UMLUQIWBNROJDC-UHFFFAOYSA-N
- SMILES： Cl.Cl.Cl.N1C=NC2C=C(C(=CC1=2)N)N
Computed Properties
- Exact Mass: 256.00500
- Monoisotopic Mass: 256.005
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 308
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 8
- XLogP3: nothing
- Topological Polar Surface Area: 80.7A^2
Experimental Properties
- Melting Point: >300°C
- Stability/Shelf Life: Light Sensitive
- PSA: 80.72000
- LogP: 4.29570
1H-Benzimidazole-5,6-diamine,hydrochloride (1:3) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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