Basic information
- CAS
111073-18-8- Standard SMILES
Cl.Nc1c(Cl)cc(CC2=NCCN2)cc1Cl- InChIKey
ASIGTNNPGBMHLP-UHFFFAOYSA-N- Molecular formula
- C10H12Cl3N3
- Average molar mass
- 280.6 g/mol
- Monoisotopic mass
- 279.00968
Names & identifiers
- Preferred name
- Nemazoline Hydrochloride
- IUPAC
- 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride
- English name
- 2-(4-amino-3,5-dichlorobenzyl)imidazoline
- Molecular weight
- 0
Names & synonyms
Nemazoline HClNEMAZOLINE HYDROCHLORIDE111073-18-8SCH 40054 HClNemazoline hydrochloride [USAN]EX1KDR36JSNemazoline hydrochloride (USAN)2-(4-Amino-3,5-dichlorobenzyl)-2-imidazoline monohydrochlorideBenzenamine, 2,6-dichloro-4-((4,5-dihydro-1H-imidazol-2-yl)methyl)-, monohydrochlorideRefChem:832149UNII-EX1KDR36JS2-(4-AMINO-3,5-DICHLOROBENZYL)IMIDAZOLINE
Show more names
A-57219
Abbott-57219SCHEMBL636058orb3174546CHEMBL2106817NIOSH/NJ1553000DTXSID80911983NJ15530000D05138
Database identifiers
- CAS
111073-18-8- PubChem CID
- 60468
- DTXSID
DTXSID80911983- ChEMBL
CHEMBL2106817- UNII
- EX1KDR36JS
- EC Number
- 685-501-8
Properties
Computed structural properties
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- FDA UNII
- 1 KDR36JS · EX1KDR36JS
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Chemistry & industry
Applications
UsesNasal decongestant.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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