Cas no 6976-48-3 (1,3-benzoxazole-2,5-diamine;hydrochloride)
6976-48-3 structure
Product Name:1,3-benzoxazole-2,5-diamine;hydrochloride
CAS No:6976-48-3
MF:C7H8ClN3O
MW:185.610919952393
CID:974208
PubChem ID:53421648
Update Time:2025-04-19
1,3-benzoxazole-2,5-diamine;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1,3-benzoxazole-2,5-diamine,hydrochloride
- 1,3-benzoxazole-2,5-diamine
- hydrochloride
- DTXSID70697860
- NSC24967
- 6976-48-3
- 1,3-Benzoxazole-2,5-diamine--hydrogen chloride (1/1)
- NSC-24967
- 1,3-benzoxazole-2,5-diamine;hydrochloride
-
- Inchi： 1S/C7H7N3O.ClH/c8-4-1-2-6-5(3-4)10-7(9)11-6;/h1-3H,8H2,(H2,9,10);1H
- InChI Key： COSKMOKDDNKNBO-UHFFFAOYSA-N
- SMILES： Cl.O1C(N)=NC2C=C(C=CC1=2)N
Computed Properties
- Exact Mass: 149.05901
- Monoisotopic Mass: 185.0355896g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 153
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.1?2
Experimental Properties
- PSA: 78.07
1,3-benzoxazole-2,5-diamine;hydrochloride Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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