CID 657392
Basic information
- CAS
849-55-8- Standard SMILES
CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.[Cl-].[H+]- InChIKey
CLJHABUMMDMAFA-UHFFFAOYSA-N- Molecular formula
- C19H26ClNO2
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.1652068
Overview
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Names & identifiers
- Preferred name
- CID 657392
- IUPAC
- hydron;4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;chloride
- English name
- Nylidrin hydrochloride
- Molecular formula
- C19H26ClNO2
- Molecular weight
- 335.87
Names & synonyms
SCHEMBL15512520AKOS026749811Buphenine HClOpinoRydrinVerinaDilatolArlidinDilatalRudilindilatylArlibide
Database identifiers
- CAS
849-55-8- PubChem CID
- 657392
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 198 · 198-199℃ (decomposition)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 41 mg/mL · DMSO: ≥ 41 mg/mL (122.07 mM)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 69 E3PW7E · EC69E3PW7E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H312
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 8300000 · DO8300000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- DO8300000
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H332-H312
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
UsesMedicine (treatment of heart disease).
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Nylidrin hydrochloride is an alkylbenzene.
Suppliers
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Related reactions
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Compound notes
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