Basic information
- CAS
4749-61-5- Standard SMILES
CCc1cccc(CC)c1NC1=[NH+]CCN1.[Cl-]- InChIKey
ZLRWFGBEDNTMEU-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3
- Average molar mass
- 253.77 g/mol
- Monoisotopic mass
- 253.1345753
Overview
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Names & identifiers
- Preferred name
- 2-(2,6-Diethylphenylamino)-2-imidazoline hydrochloride
- IUPAC
- N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
- English name
- ST-91
- Molecular formula
- C13H20ClN3
- Molecular weight
- 253.77
Names & synonyms
2-(2,6-Diethylphenylamino)-2-imidazoline hydrochlorideN-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine;chlorideSt 91-Cl2-IMIDAZOLINE, 2-(2,6-DIETHYLANILINO)-, HYDROCHLORIDE1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-diethylphenyl)-, monohydrochloride2-[(2,6-diethylphenyl)amino]-4,5-dihydro-1H-imidazol-3-ium chlorideNC-5ST 91, 10 mM in DMSO2-(2,6-Diethylphenylamino)-2-imidazoline2-[(2,6-Diethylphenyl)imino]imidazolidineN-(2,6-Diethylphenyl)imidazolidine-2-imine2-Imidazoline,2-(2,6-diethylanilino)-,hydrochloride
Show more names
N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amineN-(2,6-Diethylphenyl)-4,5-dihydro-1H-imidazol-2-aminehydrochloride
Database identifiers
- CAS
4749-61-5
Properties
Computed structural properties
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- storage temp.
- 4 °C · Desiccate at +4°C
- solubility
- 100 mM · Soluble to 100 mM in water and to 100 mM in DMSO
- form
- Powder
- color
- White to off-white
Chemistry & industry
Applications
UsesST 91 is an a2B-adrenoceptor agonist.
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
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Compound notes
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