Cas no 27243-71-6 (Hydroxylamine,O-[(1-methyl-1H-benzimidazol-2-yl)methyl]-, hydrochloride (1:2))
27243-71-6 structure
Product Name:Hydroxylamine,O-[(1-methyl-1H-benzimidazol-2-yl)methyl]-, hydrochloride (1:2)
CAS No:27243-71-6
MF:C9H13Cl2N3O
MW:250.125019788742
CID:275477
PubChem ID:33753
Update Time:2025-04-19
Hydroxylamine,O-[(1-methyl-1H-benzimidazol-2-yl)methyl]-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Hydroxylamine,O-[(1-methyl-1H-benzimidazol-2-yl)methyl]-, hydrochloride (1:2)
- (3-methyl-1H-benzimidazol-3-ium-2-yl)methoxyazanium,dichloride
- BENZIMIDAZOLE, 2-(AMINOOXYMETHYL)-1-METHYL-, DIHYDROCHLORIDE
- Hydroxylamine, O-((1-methylbenzimidazol-2-yl)methyl)-
- 1-Methoxy-2-(aminooxymethyl)benzimidazole dihydrochloride
- 27243-71-6
-
- Inchi: 1S/C9H12N3O.2ClH/c1-12-8-5-3-2-4-7(8)11-9(12)6-13-10;;/h2-5H,6H2,1,10H3;2*1H/q+1;;/p-1
- InChI Key: LMNRUNPJXPJMIG-UHFFFAOYSA-M
- SMILES: [Cl-].[Cl-].O(CC1NC2C=CC=CC=2[N+]=1C)[NH3+]
Computed Properties
- Exact Mass: 235.942
- Monoisotopic Mass: 249.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 176
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 56.5A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 48.3
Hydroxylamine,O-[(1-methyl-1H-benzimidazol-2-yl)methyl]-, hydrochloride (1:2) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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