Basic information
- CAS
4751-48-8- Standard SMILES
CCc1cccc(CC)c1NC1=NCCN1- InChIKey
IALHTUPVRAQZFI-UHFFFAOYSA-N- Molecular formula
- C13H19N3
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.15789762
Overview
N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine is a substituted aniline.
Names & identifiers
- Preferred name
- St 91
- IUPAC
- N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
- English name
- ST 91
- Molecular formula
- C13H19N3
- Molecular weight
- 217.31
Names & synonyms
N-(2,6-Diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine4751-48-8ST 91ST-91U94VU1Q8HCDTXSID50197171RefChem:185242DTXCID60119662747353-31-72-(2,6-Diethylphenylamino)-2-imidazolidine2,6-Diethyl-N-(imidazolidin-2-ylidene)anilineUNII-U94VU1Q8HC
Show more names
1H-Imidazol-2-amine, N-(2,6-diethylphenyl)-4,5-dihydro-
NC-5starbld00063382-(2,6-diethylphenylamino)-2-imidazolineCHEMBL301717orb3236268SCHEMBL4762027SCHEMBL5154555BDBM85235
Database identifiers
- CAS
4751-48-8- PubChem CID
- 20864
- DTXSID
DTXSID50197171- ChEMBL
CHEMBL301717- ChEBI
CHEBI:92344- UNII
- U94VU1Q8HC
- Nikkaji
- J344.495C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
LogP2.6
Physicochemical properties
- Melting point
- 61 · 61-63 °C
- Boiling point
- 325.1 · 325.1±52.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 10.82 · 10.82±0.50(Predicted)
- FDA UNII
- 94 VU1Q8HC · U94VU1Q8HC
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to and activate alpha adrenergic receptors.
Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.
Applications
UsesST 91 is an a2B-adrenoceptor agonist.
Suppliers1 total
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Additional notes
DefinitionChEBI: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine is a substituted aniline.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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