Xylonidine
Basic information
- CAS
4859-06-7- Standard SMILES
Cc1cccc(C)c1NC1=NCCN1- InChIKey
IVCKBWZBJVLCDH-UHFFFAOYSA-N- Molecular formula
- C11H15N3
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.12659749
Overview
alpha adrenoreceptor stimulation by above cpd mainly inhibits the release of mediator and/or the bronchoconstriction caused by moderate activation of sensory nerves; forced molting agent; structure given in first source
Names & identifiers
- Preferred name
- Xylonidine
- IUPAC
- N-(2,6-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
- English name
- xylonidine
- Molecular formula
- C11H15N3
- Molecular weight
- 189.26
Names & synonyms
Xylonidine4859-06-7Skf-358862-(2,6-Dimethylanilino)-2-imidazolineSkf 358662-(2,6-Xylylimino)imidazolineSK&F 358862-(2,6-Dimethylphenylimino)imidazolineRefChem:934376SK&F-35866n-(2,6-dimethylphenyl)-4,5-dihydro-1h-imidazol-2-amine1H-Imidazol-2-amine, N-(2,6-dimethylphenyl)-4,5-dihydro-
Show more names
NC-4St-95F35866F 35866F-35866
CHEMBL186919(4,5-Dihydro-1H-imidazol-2-yl)-(2,6-dimethyl-phenyl)-amineSK&F 35866starbld0007533orb1985183SCHEMBL4760243SCHEMBL10831788DTXSID60876485
Database identifiers
- CAS
4859-06-7- PubChem CID
- 78576
- DTXSID
DTXSID60876485- ChEMBL
CHEMBL186919- Nikkaji
- J39.667B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
LogP1.45
Physicochemical properties
- Melting point
- 143 °C · 143 °C
- Boiling point
- 290 · 290.0±50.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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